{ "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" [ 10.7113794 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7113794 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7113794 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.9887644 2.4584064 0.5885497000000001 ] [ 0.9500904000000001 4.901949399999999 0.1983717 ] [ 4.6861614 3.0035424 1.1029284 ] [ 3.0730824 4.7303234 1.2610854 ] [ 0.8910138000000001 1.6681864 4.456867399999999 ] [ 4.007924399999999 2.4719514 3.3080064 ] [ 4.334059399999999 0.1316205 3.7933434 ] [ 1.7809124 3.2851064 2.7838204 ] [ 5.1212754 3.9104734 4.8279184 ] [ 1.9951924 0.2197522 5.895524399999999 ] [ 1.3034654 5.0674794 6.1987254 ] [ 2.1829784 3.8074784 7.9757314 ] [ 5.3060224 2.6806814 6.8691444 ] [ 1.6018324 0.2403158 8.1719224 ] [ 3.3901744 1.8060034 8.0921834 ] [ 3.1252364 1.8722914 10.4520994 ] [ 0.2191809 3.4439144 9.221729400000001 ] [ 3.8452164 5.2184994 8.909530400000001 ] [ 1.4455934 9.7468634 1.6262654 ] [ -0.01083125 8.1847224 0.5970185 ] [ 3.4397144 10.2974394 0.2662605 ] [ 0.1382896 7.429113399999999 4.395402399999999 ] [ 3.2520714 6.3655354 2.9000734 ] [ 4.2685194 6.1043654 4.984685399999999 ] [ 2.0792264 8.2961404 3.3930474 ] [ 3.3188544 9.2050154 5.1634534 ] [ 0.2873898 7.119522399999999 6.827770399999999 ] [ 2.5090904 7.9956354 7.0399154 ] [ 4.4927864 6.794810399999999 7.2773324 ] [ 4.3503954 7.441841399999999 9.5799284 ] [ 2.5326474 9.0104764 9.1849334 ] [ 9.0902124 1.0230834 2.0135984 ] [ 6.306069399999999 4.4861204 0.1012846 ] [ 8.847170400000001 3.4071624 2.0729844 ] [ 10.6621994 4.908869399999999 2.3378384 ] [ 6.2568354 0.08832179999999999 5.183421399999999 ] [ 7.2527154 4.007567399999999 3.7768624 ] [ 10.0001594 4.238155399999999 5.3759954 ] [ 7.432455399999999 1.8841684 6.1456114 ] [ 7.947610399999999 0.328857 7.853592399999999 ] [ 9.788850400000001 1.9869934 5.9243934 ] [ 9.9643694 5.029376399999999 7.6274954 ] [ 7.2784254 1.4045704 9.8953764 ] [ 9.515848400000001 0.6480317 9.6084254 ] [ 5.9536554 4.232831399999999 8.5018244 ] [ 8.340816400000001 3.4645604 10.4876094 ] [ 9.484470400000001 7.1081384 2.4318594 ] [ 6.874594399999999 8.964606400000001 0.5571542 ] [ 5.5722314 9.313364400000001 2.4687684 ] [ 9.0535274 9.8496594 0.5741773 ] [ 5.881175399999999 7.6374114 4.113765399999999 ] [ 7.278091399999999 6.1951424 2.8855294 ] [ 8.240838400000001 5.738358399999999 5.038194399999999 ] [ 7.4422494 10.6025194 3.2090754 ] [ 9.0648204 9.0268434 4.0915474 ] [ 10.6628994 10.6381294 3.2600174 ] [ 7.587242399999999 5.5347724 7.3160254 ] [ 6.4258994 9.2172864 7.9338484 ] [ 7.2448634 8.6968624 5.723115399999999 ] [ 10.1385994 10.0429994 7.7601254 ] [ 7.841704399999999 7.472994399999999 8.6148334 ] [ 6.486320399999999 6.8353144 10.4079894 ] [ 10.1345994 8.0026744 8.9267274 ] [ 5.6318144 10.3502494 9.9096054 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.001499 -0.691747 0.628506 ] [ 0.198026 0.929475 0.028595 ] [ 0.228232 0.523481 -0.211995 ] [ 0.015501 0.390909 -0.629219 ] [ 0.114126 0.304338 0.119413 ] [ -0.126073 -0.09385 0.004197 ] [ 0.227397 0.412522 0.155877 ] [ -0.497556 -0.416552 0.358131 ] [ -0.16117 -0.405737 -0.162338 ] [ -0.052225 0.28399 -0.270419 ] [ 0.559863 0.026741 -0.590986 ] [ 0.296206 0.235322 0.105119 ] [ 0.412624 0.044672 0.095027 ] [ 0.033561 0.087238 0.006871 ] [ 0.066907 0.183993 -0.421367 ] [ 0.205411 -0.23402 -0.010059 ] [ -1.241181 0.246215 -0.3379 ] [ -0.627618 -0.276599 0.289374 ] [ 0.592049 -0.274627 0.181448 ] [ -0.038862 -0.50489 -0.149609 ] [ -0.094309 0.125513 0.164203 ] [ -0.263924 -0.183268 0.724769 ] [ 0.235876 0.039505 0.065933 ] [ 0.083986 -0.309666 -0.140711 ] [ -0.155451 0.002882 -0.353788 ] [ 0.055334 -0.149702 -0.406465 ] [ 0.410506 0.564502 -0.252959 ] [ -0.163547 0.092871 0.277875 ] [ 0.475402 0.005206 -0.437551 ] [ -0.065657 0.084848 0.188552 ] [ -0.104285 -0.333919 0.604592 ] [ -0.176115 0.706777 -0.021311 ] [ 0.076517 0.085052 0.209273 ] [ -0.107054 -0.675726 0.169402 ] [ -0.301434 -0.295986 0.577535 ] [ 0.190237 0.470128 0.314543 ] [ -0.109587 -0.596438 -0.110872 ] [ 0.181129 -0.458208 -0.865306 ] [ -0.168338 -0.282272 -0.015167 ] [ -0.417826 -0.021408 -0.56036 ] [ 0.057922 0.237001 0.26052 ] [ -0.445338 -0.370409 0.779202 ] [ -0.201053 0.507397 0.111555 ] [ 0.942809 0.937587 0.71515 ] [ -0.036199 0.041154 -0.405001 ] [ 0.532717 -0.190267 -0.282898 ] [ -0.06913 -0.365043 -0.155578 ] [ 0.095782 -0.196257 0.408182 ] [ -0.351559 -0.093382 -0.455923 ] [ -0.378919 -0.14787 0.115557 ] [ -0.199347 -0.117182 -0.124888 ] [ -0.002302 0.409783 -0.531232 ] [ 0.356625 0.361755 0.554487 ] [ 0.125599 -0.174508 -0.200429 ] [ 0.208977 -0.188413 0.064463 ] [ 0.48931 -0.036718 0.066238 ] [ 0.033131 0.22832 -0.047631 ] [ -0.084891 -0.435407 -0.319529 ] [ -0.054784 0.184829 0.020444 ] [ -0.261023 0.227688 -0.824836 ] [ 0.035431 -0.143572 0.050625 ] [ -0.162879 -0.324697 0.540801 ] [ 0.184454 -0.196018 0.405876 ] [ -0.600509 0.202659 -0.066006 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -258.345009 } }