{ "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 ] "si-unit" "m" "si-value" [ 1.0653812e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.653812 0 ] "si-unit" "m" "si-value" [ 0.0 1.0653812e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.653812 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.0653812e-09 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1806960000000005e-10 2.8830520000000003e-10 2.210396e-10 ] [ 1.949989e-10 5.1480480000000005e-11 5.073609000000001e-10 ] [ 1.960316e-11 2.092503e-11 3.5207e-10 ] [ 3.726507e-10 1.061643e-10 3.6437240000000005e-10 ] [ 8.157098e-11 3.777474e-10 4.4330790000000005e-10 ] [ 2.5630570000000004e-10 4.854239e-10 3.388675e-10 ] [ 4.563141e-10 1.004897e-10 7.215366e-10 ] [ 2.208881e-10 2.7064e-10 5.937311e-10 ] [ 8.889178000000001e-11 3.6103790000000003e-10 7.649405e-10 ] [ 3.8021750000000004e-10 4.357309e-10 5.347654000000001e-10 ] [ 4.070741e-10 5.326056e-10 7.569212000000001e-10 ] [ 5.48896e-12 1.5018050000000002e-10 8.144193e-10 ] [ 2.001664e-11 1.660769e-10 1.0436042e-09 ] [ 2.406777e-10 2.534311e-10 1.0638261999999999e-09 ] [ 3.2667280000000003e-10 8.196492000000002e-11 9.283270999999999e-10 ] [ 2.589299e-10 4.328638e-10 9.118915e-10 ] [ 4.805804e-10 6.239905000000001e-10 1.586761e-10 ] [ 2.752093e-10 7.347408e-10 1.266655e-10 ] [ 2.632959e-10 9.681890999999999e-10 1.201071e-10 ] [ 4.685426999999999e-10 9.995082e-10 2.363007e-10 ] [ 4.693973e-10 1.0143382e-09 -3.2567730000000006e-12 ] [ 1.630587e-10 7.055271e-10 3.319277e-10 ] [ 3.0071650000000004e-10 7.674286000000001e-10 5.153553999999999e-10 ] [ 1.0182340000000001e-10 7.238601000000001e-10 6.559822e-10 ] [ 1.919717e-10 8.964642999999999e-10 7.858748000000001e-10 ] [ 3.416486e-10 9.771788999999998e-10 6.251736e-10 ] [ 1.8329210000000002e-10 6.360191000000001e-10 1.0016222000000002e-09 ] [ 3.442716e-10 7.36639e-10 8.615494999999999e-10 ] [ 1.248394e-10 1.0210592000000001e-09 9.860067999999998e-10 ] [ 8.698037999999999e-10 6.846327000000002e-11 3.7684800000000004e-11 ] [ 7.673243e-10 3.424225e-10 1.626437e-10 ] [ 5.284053e-10 3.857601e-10 1.708307e-10 ] [ 9.819295e-10 4.523871e-10 1.802069e-10 ] [ 5.574299e-10 1.391658e-10 5.055161e-10 ] [ 8.636205999999999e-10 2.554788e-10 4.364419e-10 ] [ 1.0436372e-09 2.450287e-10 2.8445550000000003e-10 ] [ 5.660764000000001e-10 3.5704970000000003e-10 4.1113489999999997e-10 ] [ 9.36263e-10 4.706713e-10 4.944606000000001e-10 ] [ 9.337477e-10 4.8524600000000003e-11 5.317944e-10 ] [ 9.369929e-10 4.4183320000000005e-10 7.211123e-10 ] [ 6.831585e-10 7.961035e-11 7.948351e-10 ] [ 6.444545e-10 1.07895e-10 1.0211722e-09 ] [ 8.566441999999998e-10 2.4242130000000003e-10 8.231551e-10 ] [ 7.839797e-10 3.8997639999999997e-10 9.968582e-10 ] [ 6.217084e-10 4.963593999999999e-10 8.551431999999999e-10 ] [ 5.461026e-10 3.239779e-10 1.0007322e-09 ] [ 9.738351000000001e-10 5.338129e-10 1.0214232000000002e-09 ] [ 7.830739000000001e-10 5.628432000000001e-10 2.3269479999999998e-10 ] [ 8.20596e-10 6.887997e-10 3.788454e-11 ] [ 7.825380000000001e-10 9.166975e-10 8.325483e-11 ] [ 5.389998e-10 7.088418000000001e-10 5.057369e-10 ] [ 5.745726e-10 7.948957e-10 2.931321e-10 ] [ 7.081923e-10 5.379492e-10 4.577819e-10 ] [ 7.263172000000001e-10 1.0416522e-09 4.4548940000000005e-10 ] [ 8.024625999999999e-10 8.671983999999999e-10 3.1104790000000003e-10 ] [ 1.0359812e-09 8.53525e-10 3.5915740000000003e-10 ] [ 8.317056999999999e-10 7.538668e-10 6.564252e-10 ] [ 6.469674000000001e-10 8.916993999999999e-10 6.068723999999999e-10 ] [ 1.0089511999999999e-09 8.880486999999999e-10 5.880041e-10 ] [ 6.043254e-10 6.529905000000001e-10 1.0275872000000001e-09 ] [ 9.88446e-10 6.555433e-10 8.080228e-10 ] [ 7.607516000000001e-10 9.191922999999999e-10 8.204424999999999e-10 ] [ 5.480155e-10 8.465874e-10 9.129171999999999e-10 ] [ 9.473484e-10 9.508894e-10 9.772131e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.376154 -0.169659 -0.7864644 ] [ 0.820339 0.6077752 -0.6174547 ] [ 0.9832482 -0.146405 -0.0001105 ] [ 0.2340289 0.0036806 -0.6036919 ] [ -0.1150512 0.4097092 -0.5212685 ] [ -0.837902 0.4399496 0.2791458 ] [ 0.5359957 -0.3717074 0.0031566 ] [ -0.6764077 -0.0502633 0.1948195 ] [ 1.0954643 -0.6343029 -0.1049062 ] [ 0.5991941 0.2331862 0.6955339 ] [ 0.8248244 -0.5207163 -0.7910378 ] [ -0.2840408 -0.3273102 -0.6304865 ] [ -0.4567959 0.1150901 1.6953348 ] [ 0.1793211 0.7583487 0.5071687 ] [ 0.5323375 0.090069 -0.1789541 ] [ -1.3989875 -0.0003753 0.2164477 ] [ 0.5788919 0.1643215 -0.6201936 ] [ -0.9832408 -0.7150363 0.4709298 ] [ -1.4948913 -0.8100265 -1.0932068 ] [ 0.3789826 -0.319734 1.0088374 ] [ 1.5882999 0.6295197 -1.3449969 ] [ 0.1013264 0.4511421 -0.7235474 ] [ 0.6053964 -0.7697422 0.3078479 ] [ 0.1173039 0.2137126 0.6405215 ] [ 0.6113866 0.2957545 1.0585163 ] [ -0.8913596 0.4799492 -0.0221437 ] [ -2.2033343 -0.7737013 0.8725473 ] [ 0.231885 0.3947098 -0.918366 ] [ -0.2658315 -1.3047728 -0.7292864 ] [ -0.648098 2.5745632 0.7241994 ] [ -1.2827832 -2.1461006 -0.5435013 ] [ -0.5599559 0.4378474 0.4935613 ] [ 2.4773942 -0.833276 -0.1762628 ] [ 0.1701189 0.1481169 -0.757377 ] [ -0.4149083 -0.3617169 -0.0704114 ] [ 0.1582197 -0.3891909 -1.1374412 ] [ 0.031495 0.1145882 0.5656543 ] [ -0.8461081 0.3613643 0.987115 ] [ -0.6005759 -0.0429772 0.6435009 ] [ 0.619289 0.4730286 0.0864651 ] [ 0.4309072 0.0408192 -0.2465234 ] [ -0.2795978 0.2356173 0.5421468 ] [ -1.0089577 -0.2408216 -0.2932056 ] [ 1.5498744 -1.2828187 -0.9022239 ] [ -1.1083843 0.900525 -1.0851976 ] [ -0.3462622 -1.0711318 1.5153854 ] [ 3.1760918 1.6986117 -1.2280136 ] [ -0.7736406 2.2925632 1.8384624 ] [ -1.1103373 0.6505241 0.4524389 ] [ 0.1616122 -1.1096823 1.130842 ] [ -0.3447572 0.1658685 0.4345553 ] [ -0.028722 -0.0835037 0.097322 ] [ -0.3997752 0.4826724 -0.4429853 ] [ -0.5777271 0.8556431 1.359087 ] [ -0.1814719 -0.1417702 -1.0873036 ] [ 0.3307522 -0.7164457 -0.8216331 ] [ 0.7165548 -0.5389099 0.7268807 ] [ -0.9301623 0.0074502 -0.8796336 ] [ -0.1536362 0.0295626 -0.3486189 ] [ 0.4251585 0.6002665 -0.3325888 ] [ 0.1537702 -1.1493116 0.0790566 ] [ -0.5145021 0.4828522 0.8083677 ] [ -0.2119274 0.132101 1.2510391 ] [ 1.1345154 -0.950094 -1.6478505 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.026651446204032e-10 -2.718236833083072e-10 -1.2600548747714995e-09 ] [ 1.3143279669304512e-09 9.737632161420441e-10 -9.892714847430778e-10 ] [ 1.5753372784836825e-09 -2.3456666816822404e-10 -1.770405165984e-13 ] [ 3.7495563217154116e-10 5.89697127051648e-12 -9.672210483463316e-10 ] [ -1.8433234283498498e-10 6.564265015666714e-10 -8.351642038594849e-10 ] [ -1.3424669949215617e-09 7.048769634503117e-10 4.4724087455451265e-10 ] [ 8.587597793893305e-10 -5.95540906058354e-10 5.05743072121728e-12 ] [ -1.0837246030691e-09 -8.053068414425664e-11 3.121352481759456e-10 ] [ 1.7551272903810375e-09 -1.0162652768856403e-09 -1.6807826101696896e-10 ] [ 9.600147783412972e-10 3.7360547793319297e-10 1.1143681535538452e-09 ] [ 1.3215143699453876e-09 -8.342794819294791e-10 -1.2673822693290664e-09 ] [ -4.550835291133286e-10 -5.244087501893722e-10 -1.0101507300300192e-09 ] [ -7.318677114572948e-10 1.8439466750553408e-10 2.716225780988644e-09 ] [ 2.873040740361389e-10 1.215008557554073e-09 8.125738339415291e-10 ] [ 8.5289869687512e-10 1.443064460588352e-10 -2.867160752163053e-10 ] [ -2.24142506529144e-09 -6.012968857862401e-13 3.4678744456593216e-10 ] [ 9.274870681504916e-10 2.6327206559478723e-10 -9.93659686289787e-10 ] [ -1.5753254223766887e-09 -1.145614442883335e-09 7.545127155980199e-10 ] [ -2.395079891497319e-09 -1.2978055205284511e-09 -1.7515103766595814e-09 ] [ 6.071970614099981e-10 -5.122703396748672e-10 1.616335696468658e-09 ] [ 2.544736966598978e-09 1.0086017456730297e-09 -2.1549225882284757e-09 ] [ 1.6234278914982912e-10 7.228093252786157e-10 -1.159250728320626e-09 ] [ 9.699519583964851e-10 -1.233262956883158e-09 4.932267081423764e-10 ] [ 1.8794156610866112e-10 3.424053312903821e-10 1.0262285724197472e-09 ] [ 9.795493167904014e-10 4.738509453963936e-10 1.6959300685957191e-09 ] [ -1.4281155118456398e-09 7.689633874116635e-10 -3.547811843800896e-11 ] [ -3.5301307032667334e-09 -1.239606134342567e-09 1.397974884602164e-09 ] [ 3.71520725714208e-10 6.323948135606439e-10 -1.4713845345376128e-09 ] [ -4.2590901437219523e-10 -2.0904764756157546e-09 -1.168445619947397e-09 ] [ -1.0383674635872384e-09 4.124904967812035e-09 1.1602953474773876e-09 ] [ -2.0552452525950104e-09 -3.4384322072048527e-09 -8.70785076234407e-10 ] [ -8.971482516590227e-10 7.015088677580659e-10 7.90772375791655e-10 ] [ 3.9692230677455195e-09 -1.3350553258737408e-09 -2.8240413727674623e-10 ] [ 2.725605243362131e-10 2.3730943432537155e-10 -1.2134517225316417e-09 ] [ -6.647563780358727e-10 -5.795343605282515e-10 -1.1281149891779712e-10 ] [ 2.5349590428998974e-10 -6.235525610081108e-10 -1.8223816981746971e-09 ] [ 5.0460552672096004e-11 1.8359053505955456e-10 9.062780949149896e-10 ] [ -1.3556146164895085e-09 5.789694330517575e-10 1.581532575040992e-09 ] [ -9.622286659959189e-10 -6.885706506744576e-11 1.031002097443759e-09 ] [ 9.92210357318611e-10 7.57875363889755e-10 1.385323617351341e-10 ] [ 6.903894415743897e-10 6.539956791975937e-11 -3.9497402796012675e-10 ] [ -4.4796505838711425e-10 3.7750052951601985e-10 8.686149280015335e-10 ] [ -1.6165284383161404e-09 -3.858387373036493e-10 -4.697671574076365e-10 ] [ 2.4831725288564275e-09 -2.055302129865049e-09 -1.4455220393069972e-09 ] [ -1.7758274123217735e-09 1.44280010144592e-09 -1.7386782236682703e-09 ] [ -5.547732015067738e-10 -1.7161423277554217e-09 2.4279150593816564e-09 ] [ 5.08866002747459e-09 2.7214759535573435e-09 -1.9674946799444428e-09 ] [ -1.2395088822216845e-09 3.6730911607464345e-09 2.945541475499858e-09 ] [ -1.778956463262196e-09 1.0422545042869613e-09 7.248870279204692e-10 ] [ 2.589312884760538e-10 -1.7779070375755718e-09 1.8118086142187135e-09 ] [ -5.523619256924697e-10 2.6575063282716483e-10 6.962343421047302e-10 ] [ -4.6017716902617604e-11 -1.3378767589029697e-10 1.5592703308949762e-10 ] [ -6.405104790156442e-10 7.733264347854259e-10 -7.097406910180743e-10 ] [ -9.256208528225838e-10 1.3708913705688365e-09 2.1774974170332097e-09 ] [ -2.907500355121555e-10 -2.271408999661402e-10 -1.742052407631675e-09 ] [ 5.299234421181657e-10 -1.1478725506126905e-09 -1.3164013436954285e-09 ] [ 1.14804734808202e-09 -8.634288424976661e-10 1.1645912636507387e-09 ] [ -1.4902842906095558e-09 1.193653626028416e-11 -1.409328388790139e-09 ] [ -2.46152327748553e-10 4.736450657006209e-11 -5.585490511490131e-10 ] [ 6.811790088343968e-10 9.617329525494433e-10 -5.328659996999271e-10 ] [ 2.4636701941574016e-10 -1.8414001755342416e-09 1.2666263623993728e-10 ] [ -8.243232359725037e-10 7.736145061418458e-10 1.2951478299498682e-09 ] [ -3.395451255869299e-10 2.116491337843008e-10 2.0043855977266734e-09 ] [ 1.8176940498175604e-09 -1.5222183943623553e-09 -2.6401475456735905e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -243.91865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.90800758407098e-17 } }