Triclinic periodic calculation 64 atoms 0.0 10.653812 xlo xhi 0.0 10.653812 ylo yhi 0.0 10.653812 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 3.180696 2.883052 2.210396 2 1 1.949989 0.5148048 5.073609 3 1 0.1960316 0.2092503 3.5207 4 1 3.726507 1.061643 3.643724 5 1 0.8157098 3.777474 4.433079 6 1 2.563057 4.854239 3.388675 7 1 4.563141 1.004897 7.215366 8 1 2.208881 2.7064 5.937311 9 1 0.8889178 3.610379 7.649405 10 1 3.802175 4.357309 5.347654 11 1 4.070741 5.326056 7.569212 12 1 0.0548896 1.501805 8.144193 13 1 0.2001664 1.660769 10.436042 14 1 2.406777 2.534311 10.638262 15 1 3.266728 0.8196492 9.283271 16 1 2.589299 4.328638 9.118915 17 1 4.805804 6.239905 1.586761 18 1 2.752093 7.347408 1.266655 19 1 2.632959 9.681891 1.201071 20 1 4.685427 9.995082 2.363007 21 1 4.693973 10.143382 -0.03256773 22 1 1.630587 7.055271 3.319277 23 1 3.007165 7.674286 5.153554 24 1 1.018234 7.238601 6.559822 25 1 1.919717 8.964643 7.858748 26 1 3.416486 9.771789 6.251736 27 1 1.832921 6.360191 10.016222 28 1 3.442716 7.36639 8.615495 29 1 1.248394 10.210592 9.860068 30 1 8.698038 0.6846327 0.376848 31 1 7.673243 3.424225 1.626437 32 1 5.284053 3.857601 1.708307 33 1 9.819295 4.523871 1.802069 34 1 5.574299 1.391658 5.055161 35 1 8.636206 2.554788 4.364419 36 1 10.436372 2.450287 2.844555 37 1 5.660764 3.570497 4.111349 38 1 9.36263 4.706713 4.944606 39 1 9.337477 0.485246 5.317944 40 1 9.369929 4.418332 7.211123 41 1 6.831585 0.7961035 7.948351 42 1 6.444545 1.07895 10.211722 43 1 8.566442 2.424213 8.231551 44 1 7.839797 3.899764 9.968582 45 1 6.217084 4.963594 8.551432 46 1 5.461026 3.239779 10.007322 47 1 9.738351 5.338129 10.214232 48 1 7.830739 5.628432 2.326948 49 1 8.20596 6.887997 0.3788454 50 1 7.82538 9.166975 0.8325483 51 1 5.389998 7.088418 5.057369 52 1 5.745726 7.948957 2.931321 53 1 7.081923 5.379492 4.577819 54 1 7.263172 10.416522 4.454894 55 1 8.024626 8.671984 3.110479 56 1 10.359812 8.53525 3.591574 57 1 8.317057 7.538668 6.564252 58 1 6.469674 8.916994 6.068724 59 1 10.089512 8.880487 5.880041 60 1 6.043254 6.529905 10.275872 61 1 9.88446 6.555433 8.080228 62 1 7.607516 9.191923 8.204425 63 1 5.480155 8.465874 9.129172 64 1 9.473484 9.508894 9.772131 Masses 1 28.0855