rendered paste bodymd conse qok nomod pres spat
title
GULP calculation from Materials Studio for fatZnO_final_10
end
cartesian
Zn1 core 0.937983 1.624635 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 0.937983 1.624635 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 0.937983 1.624635 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 1.875967 0.000000 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 1.875967 0.000000 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 1.875967 0.000000 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 7.503868 -3.249270 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 7.503868 -3.249270 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 7.503868 -3.249270 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 9.379835 -3.249270 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 9.379835 -3.249270 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 9.379835 -3.249270 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 3.751934 0.000000 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 3.751934 0.000000 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 3.751934 0.000000 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 4.689917 -1.624635 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 4.689917 -1.624635 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 4.689917 -1.624635 4.594321 -2.869020 1.000000 0.0 0 0 0
O1 core 6.565884 -1.624635 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 6.565884 -1.624635 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 6.565884 -1.624635 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 7.503868 6.498540 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 7.503868 6.498540 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 7.503868 6.498540 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 9.379835 6.498540 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 9.379835 6.498540 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 9.379835 6.498540 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 10.317818 4.873905 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 10.317818 4.873905 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 10.317818 4.873905 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 1.875967 9.747810 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 1.875967 9.747810 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 1.875967 9.747810 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 10.317818 -1.624635 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 10.317818 -1.624635 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 10.317818 -1.624635 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 0.937983 4.873905 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 0.937983 4.873905 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 0.937983 4.873905 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 1.875967 3.249270 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 1.875967 3.249270 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 1.875967 3.249270 4.594321 -2.869020 1.000000 0.0 0 0 0
O1 core 7.503868 0.000000 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 7.503868 0.000000 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 3.751934 3.249270 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 3.751934 3.249270 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 3.751934 3.249270 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 4.689917 1.624635 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 4.689917 1.624635 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 4.689917 1.624635 4.594321 -2.869020 1.000000 0.0 0 0 0
O1 core 10.317818 1.624635 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 10.317818 1.624635 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 1.875967 6.498540 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 1.875967 6.498540 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 1.875967 6.498540 4.594321 -2.869020 1.000000 0.0 0 0 0
O1 core 7.503868 3.249270 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 7.503868 3.249270 4.594321 -2.869020 1.000000 0.0 0 0 0
O1 core 3.751934 6.498540 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 3.751934 6.498540 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 4.689917 4.873905 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 4.689917 4.873905 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 4.689917 4.873905 4.594321 -2.869020 1.000000 0.0 0 0 0
O1 core 6.565884 4.873905 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 6.565884 4.873905 1.991601 -2.869020 1.000000 0.0 0 0 0
O1 core 4.689917 8.123175 4.594321 0.869020 1.000000 0.0 0 0 0
O1 shel 4.689917 8.123175 4.594321 -2.869020 1.000000 0.0 0 0 0
Zn1 core 9.379835 3.249270 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 9.379835 3.249270 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 9.379835 3.249270 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 6.565884 4.873905 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 0.937983 8.123175 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 6.565884 8.123175 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 3.751934 9.747810 0.000000 2.000000 1.000000 0.0 0 0 0
O1 core 3.751934 9.747810 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 3.751934 9.747810 1.991601 -2.869020 1.000000 0.0 0 0 0
O1 core 6.565884 8.123175 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 6.565884 8.123175 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 9.379835 0.000000 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 7.503868 0.000000 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 9.379835 0.000000 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 9.379835 0.000000 1.991601 -2.869020 1.000000 0.0 0 0 0
O1 core 6.565884 1.624635 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 6.565884 1.624635 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 6.565884 1.624635 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 10.317818 1.624635 2.602720 2.000000 1.000000 0.0 0 0 0
O1 core 0.937983 8.123175 1.991601 0.869020 1.000000 0.0 0 0 0
O1 shel 0.937983 8.123175 1.991601 -2.869020 1.000000 0.0 0 0 0
Zn1 core 7.503868 3.249270 2.602720 2.000000 1.000000 0.0 0 0 0
Zn1 core 3.751934 6.498540 0.000000 2.000000 1.000000 0.0 0 0 0
Zn1 core 4.689917 8.123175 2.602720 2.000000 1.000000 0.0 0 0 0
Zn1 core 7.503868 6.498540 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 51.443281 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 51.443281 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 51.443281 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 51.443281 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 51.443281 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 48.840561 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 51.443281 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 51.443281 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 9.379835 3.249270 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 9.379835 6.498540 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 3.751934 9.747810 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 3.751934 9.747810 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 7.197041 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 10.317818 4.873905 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 7.808160 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 0.937983 1.624635 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 3.751934 0.000000 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 7.503868 6.498540 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 0.937983 4.873905 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 3.751934 3.249270 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 9.799761 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 7.197041 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 9.799761 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 9.799761 -2.869020 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 0.937983 8.123175 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 9.379835 0.000000 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 7.503868 0.000000 7.808160 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 7.197041 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 5.205440 2.000000 1.000000 0.0 0 0 0
O1 core 0.937983 8.123175 7.197041 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 7.197041 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 7.808160 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 5.205440 2.000000 1.000000 0.0 0 0 0
Zn1 core 4.689917 8.123175 7.808160 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 10.410880 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 12.402481 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 15.005201 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 13.013600 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 15.005201 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 10.410880 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 15.005201 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 15.005201 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 15.005201 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 15.005201 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 12.402481 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 15.005201 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 15.005201 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 10.410880 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 10.410880 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 10.410880 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 13.013600 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 12.402481 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 10.410880 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 12.402481 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 12.402481 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 13.013600 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 10.410880 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 13.013600 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 15.616320 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 17.607921 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 20.210641 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 18.219040 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 20.210641 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 15.616320 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 20.210641 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 20.210641 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 20.210641 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 20.210641 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 17.607921 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 20.210641 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 20.210641 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 15.616320 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 15.616320 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 15.616320 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 18.219040 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 17.607921 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 15.616320 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 17.607921 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 17.607921 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 18.219040 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 15.616320 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 18.219040 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 20.821760 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 22.813361 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 25.416081 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 23.424480 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 25.416081 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 20.821760 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 25.416081 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 25.416081 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 25.416081 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 25.416081 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 22.813361 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 25.416081 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 25.416081 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 20.821760 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 20.821760 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 20.821760 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 23.424480 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 22.813361 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 20.821760 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 22.813361 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 22.813361 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 23.424480 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 20.821760 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 23.424480 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 26.027200 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 28.018801 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 30.621521 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 28.629920 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 30.621521 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 26.027200 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 30.621521 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 30.621521 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 30.621521 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 30.621521 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 28.018801 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 30.621521 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 30.621521 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 26.027200 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 26.027200 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 26.027200 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 28.629920 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 28.018801 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 26.027200 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 28.018801 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 28.018801 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 28.629920 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 26.027200 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 28.629920 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 31.232640 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 33.224241 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 35.826961 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 33.835360 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 35.826961 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 31.232640 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 35.826961 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 35.826961 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 35.826961 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 35.826961 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 33.224241 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 35.826961 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 35.826961 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 31.232640 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 31.232640 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 31.232640 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 33.835360 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 33.224241 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 31.232640 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 33.224241 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 33.224241 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 33.835360 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 31.232640 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 33.835360 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 36.438080 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 38.429681 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 41.032401 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 39.040800 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 41.032401 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 36.438080 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 41.032401 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 41.032401 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 41.032401 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 41.032401 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 38.429681 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 41.032401 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 41.032401 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 36.438080 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 36.438080 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 36.438080 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 39.040800 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 38.429681 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 36.438080 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 38.429681 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 38.429681 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 39.040800 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 36.438080 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 39.040800 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 6.498540 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 6.498540 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 41.643520 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 43.635121 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 4.873905 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 4.873905 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 4.873905 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 -1.624635 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 10.317818 -1.624635 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 -1.624635 46.237841 -2.869020 1.000000 0.0 1 1 1
O1 core 10.317818 1.624635 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 10.317818 1.624635 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 44.246240 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 1.624635 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 1.624635 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 0.000000 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 0.000000 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 0.000000 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 -3.249270 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 -3.249270 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 -3.249270 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 -3.249270 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 -3.249270 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 0.000000 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 0.000000 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 -1.624635 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 -1.624635 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 -1.624635 46.237841 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 41.643520 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 6.498540 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 7.503868 6.498540 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 6.498540 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 9.747810 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 9.747810 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 9.747810 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 4.873905 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 4.873905 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 3.249270 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 3.249270 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 3.249270 46.237841 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 0.000000 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 0.000000 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 3.249270 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 3.249270 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 1.624635 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 1.624635 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 1.624635 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 1.875967 6.498540 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 1.875967 6.498540 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 1.875967 6.498540 46.237841 -2.869020 1.000000 0.0 1 1 1
O1 core 7.503868 3.249270 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 7.503868 3.249270 46.237841 -2.869020 1.000000 0.0 1 1 1
O1 core 3.751934 6.498540 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 6.498540 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 4.689917 4.873905 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 4.689917 4.873905 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 4.873905 46.237841 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 4.873905 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 4.873905 43.635121 -2.869020 1.000000 0.0 1 1 1
O1 core 4.689917 8.123175 46.237841 0.869020 1.000000 0.0 1 1 1
O1 shel 4.689917 8.123175 46.237841 -2.869020 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 41.643520 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 41.643520 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 41.643520 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 44.246240 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 43.635121 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 41.643520 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 43.635121 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 43.635121 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 44.246240 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 41.643520 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 44.246240 2.000000 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 46.848960 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 3.751934 9.747810 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 3.751934 9.747810 48.840561 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 8.123175 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 8.123175 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 10.317818 1.624635 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 6.565884 -1.624635 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 -1.624635 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 46.848960 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 3.249270 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 3.249270 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 46.848960 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 46.848960 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 46.848960 2.000000 1.000000 0.0 1 1 1
Zn1 core 7.503868 0.000000 49.451680 2.000000 1.000000 0.0 1 1 1
O1 core 9.379835 0.000000 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 9.379835 0.000000 48.840561 -2.869020 1.000000 0.0 1 1 1
O1 core 6.565884 1.624635 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 6.565884 1.624635 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 46.848960 2.000000 1.000000 0.0 1 1 1
O1 core 0.937983 8.123175 48.840561 0.869020 1.000000 0.0 1 1 1
O1 shel 0.937983 8.123175 48.840561 -2.869020 1.000000 0.0 1 1 1
Zn1 core 7.503868 3.249270 49.451680 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 46.848960 2.000000 1.000000 0.0 1 1 1
Zn1 core 4.689917 8.123175 49.451680 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 1.624635 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 -3.249270 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 0.000000 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 6.565884 -1.624635 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 6.498540 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 4.873905 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 3.249270 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 3.249270 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 6.565884 4.873905 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 0.937983 8.123175 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 6.565884 8.123175 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 9.747810 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 9.379835 0.000000 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 6.565884 1.624635 52.054400 2.000000 1.000000 0.0 1 1 1
Zn1 core 3.751934 6.498540 52.054400 2.000000 1.000000 0.0 1 1 1
Species
O1 core O
O1 shel O
Zn1 core Zn_2+
library lewis
ensemble nvt 0.005
temperature 50.000000 K
equilibration 1 ps
timestep 5 fs
production 50 ps
write 100
sample 100
#
delayforce 1.1 ps
td_external_force
855 y -0.1 3.7333333333333335E12 0.5
94 y -0.1 3.7333333333333335E12 0.5
106 y -0.1 3.7333333333333335E12 0.5
114 y -0.1 3.7333333333333335E12 0.5
120 y -0.1 3.7333333333333335E12 0.5
126 y -0.1 3.7333333333333335E12 0.5
134 y -0.1 3.7333333333333335E12 0.5
874 y -0.1 3.7333333333333335E12 0.5
875 y -0.1 3.7333333333333335E12 0.5
883 y -0.1 3.7333333333333335E12 0.5
884 y -0.1 3.7333333333333335E12 0.5
887 y -0.1 3.7333333333333335E12 0.5
888 y -0.1 3.7333333333333335E12 0.5
889 y -0.1 3.7333333333333335E12 0.5
895 y -0.1 3.7333333333333335E12 0.5
899 y -0.1 3.7333333333333335E12 0.5
95 y -0.1 3.7333333333333335E12 0.5
107 y -0.1 3.7333333333333335E12 0.5
115 y -0.1 3.7333333333333335E12 0.5
121 y -0.1 3.7333333333333335E12 0.5
127 y -0.1 3.7333333333333335E12 0.5
135 y -0.1 3.7333333333333335E12 0.5
145 y -0.1 3.7333333333333335E12 0.5
150 y -0.1 3.7333333333333335E12 0.5
876 y -0.1 3.7333333333333335E12 0.5
878 y -0.1 3.7333333333333335E12 0.5
881 y -0.1 3.7333333333333335E12 0.5
885 y -0.1 3.7333333333333335E12 0.5
891 y -0.1 3.7333333333333335E12 0.5
893 y -0.1 3.7333333333333335E12 0.5
896 y -0.1 3.7333333333333335E12 0.5
91 y -0.1 3.7333333333333335E12 0.5
97 y -0.1 3.7333333333333335E12 0.5
100 y -0.1 3.7333333333333335E12 0.5
103 y -0.1 3.7333333333333335E12 0.5
109 y -0.1 3.7333333333333335E12 0.5
117 y -0.1 3.7333333333333335E12 0.5
123 y -0.1 3.7333333333333335E12 0.5
129 y -0.1 3.7333333333333335E12 0.5
137 y -0.1 3.7333333333333335E12 0.5
140 y -0.1 3.7333333333333335E12 0.5
147 y -0.1 3.7333333333333335E12 0.5
880 y -0.1 3.7333333333333335E12 0.5
890 y -0.1 3.7333333333333335E12 0.5
898 y -0.1 3.7333333333333335E12 0.5
900 y -0.1 3.7333333333333335E12 0.5
92 y -0.1 3.7333333333333335E12 0.5
98 y -0.1 3.7333333333333335E12 0.5
101 y -0.1 3.7333333333333335E12 0.5
104 y -0.1 3.7333333333333335E12 0.5
110 y -0.1 3.7333333333333335E12 0.5
112 y -0.1 3.7333333333333335E12 0.5
118 y -0.1 3.7333333333333335E12 0.5
124 y -0.1 3.7333333333333335E12 0.5
130 y -0.1 3.7333333333333335E12 0.5
132 y -0.1 3.7333333333333335E12 0.5
138 y -0.1 3.7333333333333335E12 0.5
141 y -0.1 3.7333333333333335E12 0.5
143 y -0.1 3.7333333333333335E12 0.5
148 y -0.1 3.7333333333333335E12 0.5
152 y -0.1 3.7333333333333335E12 0.5
901 y -0.1 3.7333333333333335E12 0.5
902 y -0.1 3.7333333333333335E12 0.5
903 y -0.1 3.7333333333333335E12 0.5
904 y -0.1 3.7333333333333335E12 0.5
905 y -0.1 3.7333333333333335E12 0.5
906 y -0.1 3.7333333333333335E12 0.5
907 y -0.1 3.7333333333333335E12 0.5
908 y -0.1 3.7333333333333335E12 0.5
909 y -0.1 3.7333333333333335E12 0.5
910 y -0.1 3.7333333333333335E12 0.5
911 y -0.1 3.7333333333333335E12 0.5
912 y -0.1 3.7333333333333335E12 0.5
913 y -0.1 3.7333333333333335E12 0.5
914 y -0.1 3.7333333333333335E12 0.5
915 y -0.1 3.7333333333333335E12 0.5
#
mdmaxtemp 1000000000
output movie arc fatZnO_final_10
mdarchive fatZnO_final_10.arc
output trajectory fatZnO_final_10.trg