{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.653812 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.653812 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.653812 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 3.180696 2.883052 2.210396 ] [ 1.949989 0.5148048000000001 5.073609 ] [ 0.1960316 0.2092503 3.5207 ] [ 3.726507 1.061643 3.643724 ] [ 0.8157098 3.777474 4.433079 ] [ 2.563057 4.854239 3.388675 ] [ 4.563141 1.004897 7.215366 ] [ 2.208881 2.7064 5.937311 ] [ 0.8889178000000001 3.610379 7.649405 ] [ 3.802175 4.357309 5.347654 ] [ 4.070741 5.326056 7.569212 ] [ 0.0548896 1.501805 8.144193 ] [ 0.2001664 1.660769 10.436042 ] [ 2.406777 2.534311 10.638262 ] [ 3.266728 0.8196492000000001 9.283271 ] [ 2.589299 4.328638 9.118915 ] [ 4.805804 6.239905 1.586761 ] [ 2.752093 7.347408 1.266655 ] [ 2.632959 9.681890999999998 1.201071 ] [ 4.685427 9.995082 2.363007 ] [ 4.693973 10.143382 -0.03256773 ] [ 1.630587 7.055271 3.319277 ] [ 3.007165 7.674286 5.153554 ] [ 1.018234 7.238601 6.559822 ] [ 1.919717 8.964642999999999 7.858748 ] [ 3.416486 9.771788999999998 6.251736 ] [ 1.832921 6.360191 10.016222 ] [ 3.442716 7.36639 8.615495 ] [ 1.248394 10.210592 9.860067999999998 ] [ 8.698037999999999 0.6846327000000001 0.376848 ] [ 7.673243 3.424225 1.626437 ] [ 5.284053 3.857601 1.708307 ] [ 9.819294999999999 4.523871 1.802069 ] [ 5.574299 1.391658 5.055161 ] [ 8.636206 2.554788 4.364419 ] [ 10.436372 2.450287 2.844555 ] [ 5.660764 3.570497 4.111349 ] [ 9.36263 4.706713 4.944606 ] [ 9.337477 0.485246 5.317944 ] [ 9.369928999999999 4.418332 7.211123 ] [ 6.831585 0.7961035000000001 7.948351 ] [ 6.444545 1.07895 10.211722 ] [ 8.566441999999999 2.424213 8.231551 ] [ 7.839797 3.899764 9.968582 ] [ 6.217084 4.963594 8.551431999999998 ] [ 5.461026 3.239779 10.007322 ] [ 9.738351 5.338129 10.214232 ] [ 7.830739 5.628432 2.326948 ] [ 8.20596 6.887997 0.3788454 ] [ 7.82538 9.166974999999999 0.8325483 ] [ 5.389998 7.088418 5.057369 ] [ 5.745726 7.948956999999999 2.931321 ] [ 7.081923 5.379492 4.577819 ] [ 7.263172 10.416522 4.454894 ] [ 8.024626 8.671983999999998 3.110479 ] [ 10.359812 8.53525 3.591574 ] [ 8.317056999999998 7.538668 6.564252 ] [ 6.469674 8.916993999999999 6.068724 ] [ 10.089512 8.880486999999999 5.880041 ] [ 6.043254 6.529905 10.275872 ] [ 9.884459999999999 6.555433 8.080228 ] [ 7.607516 9.191923 8.204424999999999 ] [ 5.480155 8.465874 9.129171999999999 ] [ 9.473484 9.508894 9.772131 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.060497 -0.098739 -0.459752 ] [ 0.206731 0.14004 -0.220227 ] [ 0.318048 -0.236816 -0.183066 ] [ -0.019157 0.120227 -0.317833 ] [ -0.637636 0.145374 -0.193784 ] [ -0.169612 0.590993 0.175475 ] [ 0.06727 0.035424 -0.136595 ] [ 0.323509 -0.49776 0.32427 ] [ 0.543953 -0.047972 -0.068918 ] [ 0.231795 0.069611 0.361407 ] [ 0.090972 -0.238172 -0.528275 ] [ -0.265861 -0.897956 -0.720106 ] [ -0.222659 -0.044128 0.760211 ] [ 0.321587 0.282521 0.332912 ] [ 0.179112 0.292085 0.157734 ] [ -0.324649 0.032227 0.391125 ] [ 0.175343 -0.170049 -0.092645 ] [ -0.368751 -0.224878 -0.052863 ] [ -0.468588 -0.206756 -0.015681 ] [ -0.09034 0.075689 0.057756 ] [ 1.000457 0.02059 -0.34597 ] [ 0.012205 0.35704 -0.558852 ] [ 0.306262 -0.33802 -0.073702 ] [ -0.023688 -0.088114 0.144277 ] [ -0.103602 0.523891 0.411306 ] [ -0.224233 0.014978 0.08482 ] [ -0.540569 -0.308374 0.289764 ] [ 0.130211 0.125265 -0.368246 ] [ -0.422259 -0.448849 -0.535925 ] [ -0.381631 0.698611 0.327032 ] [ -0.346481 -1.355459 0.111772 ] [ -0.273552 0.453577 0.416896 ] [ 1.239898 -0.21933 0.263586 ] [ 0.243872 0.618998 -0.55301 ] [ -0.561508 0.104335 -0.188285 ] [ 0.075455 -0.330365 -1.108329 ] [ 0.546962 -0.289959 0.4899 ] [ -0.199248 0.507655 0.084414 ] [ -0.037641 0.089759 0.624753 ] [ 0.099894 -0.233335 0.066203 ] [ 0.132815 -0.284299 -0.43751 ] [ 0.179476 0.128755 0.457889 ] [ -0.464874 -0.090246 0.068415 ] [ 0.944618 -0.485759 -0.594436 ] [ 0.038258 0.162125 -0.416647 ] [ -0.644522 -0.413557 0.513618 ] [ 0.732537 0.475686 -0.400927 ] [ -0.278974 0.957493 0.887355 ] [ 0.240861 0.260771 0.126534 ] [ -0.284576 0.248279 0.120076 ] [ -0.52524 -0.287876 0.604585 ] [ 0.124824 -0.087366 0.042413 ] [ -0.028506 0.275447 0.071657 ] [ -0.169212 0.603463 0.428553 ] [ -0.244649 -0.236658 -0.737885 ] [ 0.227247 -0.428406 -0.337065 ] [ -0.050355 -0.173276 -0.033326 ] [ -0.666863 -0.12313 -0.007 ] [ 0.044155 0.029732 0.106928 ] [ -0.102161 0.211398 -0.185046 ] [ 0.161261 -0.130407 0.255538 ] [ -0.340688 0.364466 0.408805 ] [ 0.19352 0.370907 0.39903 ] [ 0.409677 -0.371402 -0.4951 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -259.606416 } }