{ "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" [ [ 0.8264476 0.065792 -0.2790245 ] [ 0.8958349 0.5913853 -0.5701077 ] [ 0.402141 -0.2440103 1.1187374 ] [ 0.3374405 0.2350532 0.0994326 ] [ 0.3071418 -0.033441 -0.5358283 ] [ -0.2873021 -0.2066332 0.4131302 ] [ 0.1577103 -0.2553179 -0.3019817 ] [ -0.2154099 0.0414244 -0.080046 ] [ 0.5161475 -0.8583986 -0.3641105 ] [ 0.2992351 0.2297005 -0.071536 ] [ 0.2956809 -0.2604695 0.0995804 ] [ -0.4234612 0.7363559 0.4168248 ] [ 0.0021814 -0.3661537 0.3101129 ] [ 0.5152996 0.2391467 -0.161007 ] [ 0.1759491 -0.5149023 0.6062522 ] [ -0.5053461 0.0932933 0.0554027 ] [ 0.6511618 -0.0514839 -0.2043995 ] [ -0.4440253 -0.3410674 0.4857913 ] [ -1.1386416 -1.1232855 -1.0076236 ] [ 0.2230704 -0.1614215 0.8197143 ] [ 1.2586903 0.6898691 -1.8867204 ] [ 0.6397493 0.4312959 -0.3196704 ] [ 0.1800832 -0.2961116 0.0439266 ] [ 0.1593458 0.9426077 0.7584056 ] [ 0.7372619 -0.0158234 -0.0082902 ] [ -0.5850644 0.3140049 0.0302977 ] [ -0.7076095 -0.4951618 0.1534561 ] [ -0.2635305 -0.0638067 -0.4592889 ] [ 0.2204973 -0.3486918 -0.2913765 ] [ -0.6679306 2.0763528 0.0791616 ] [ -0.8082028 -1.9471036 0.121286 ] [ -0.2877512 0.7700278 0.3105371 ] [ 1.5862522 -0.1342647 0.2737532 ] [ -0.2232281 0.0720133 -0.5345464 ] [ -0.9564159 0.2830705 -1.4265443 ] [ -0.4501889 0.2528219 -0.2115805 ] [ 0.2865473 -0.1402886 0.1693018 ] [ -0.5652615 -0.4953465 0.4132316 ] [ -0.3316622 -0.2331891 -0.5066553 ] [ 0.8184641 0.4531252 0.3869938 ] [ -0.052598 -0.5096653 0.1316752 ] [ 0.2677032 0.2552265 -0.3061034 ] [ -0.2474651 -0.0185397 0.4827255 ] [ 1.8193866 -0.8871957 -0.3895528 ] [ -1.2353698 1.038061 0.0108987 ] [ -1.1065985 -0.933825 1.4510573 ] [ 0.8316307 0.7908866 -0.7142342 ] [ -1.3199811 1.9849217 1.2611019 ] [ -0.9805383 0.1672071 0.131599 ] [ -0.4979383 -1.1186755 1.383464 ] [ -0.1544504 0.2379152 -0.2878396 ] [ 0.1743708 -0.3899164 0.0405798 ] [ -0.1879742 0.2139458 -0.3520595 ] [ 0.2126414 0.361346 1.1447059 ] [ -0.3305997 -0.3345984 -1.0953325 ] [ -0.0175751 0.1271563 0.2879814 ] [ 1.0113856 -0.2055858 -0.1172543 ] [ -1.2851216 0.428134 -1.0593879 ] [ 0.1470475 -0.8655604 -0.4147461 ] [ 0.3451645 0.4195143 -0.4030706 ] [ 0.1382851 -0.910392 -0.4883544 ] [ -0.7073024 0.8108724 1.3345899 ] [ 0.0165917 -0.0944219 1.0603737 ] [ 0.5280041 -0.4977786 -1.037809 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.32411502303627e-09 1.0541040423567361e-10 -4.4704653053040963e-10 ] [ 1.435285732876706e-09 9.475037015447944e-10 -9.134132282780602e-10 ] [ 6.443009084651328e-10 -3.9094759789439427e-10 1.7924149070945781e-09 ] [ 5.406392800110624e-10 3.7659674168422656e-10 1.5930858706535808e-10 ] [ 4.920954112304295e-10 -5.35783883761728e-11 -8.584915750230087e-10 ] [ -4.603087077267437e-10 -3.3106288212109054e-10 6.619075477864282e-10 ] [ 2.5267975551935423e-10 -4.090643702517523e-10 -4.838280196494395e-10 ] [ -3.451247056688659e-10 6.636920521066752e-11 -1.2824782978855681e-10 ] [ 8.26959457384368e-10 -1.375306168247451e-09 -5.833693304877985e-10 ] [ 4.794274813427501e-10 3.680207708860704e-10 -1.1461330674554881e-10 ] [ 4.737330251971028e-10 -4.173181433314656e-10 1.5954538876991232e-10 ] [ -6.784596344559129e-10 1.1797722075681426e-09 6.678269495296359e-10 ] [ 3.49498808061312e-12 -5.866428977594171e-10 4.968556381884884e-10 ] [ 8.256009718275917e-10 3.831552516814714e-10 -2.579616511851456e-10 ] [ 2.8190153447080127e-10 -8.24964427056148e-10 9.713231011485658e-10 ] [ -8.09653706832459e-10 1.4947234413728064e-10 8.876491066919616e-11 ] [ 1.0432762123180455e-09 -8.248630092760512e-11 -3.2748410020320964e-10 ] [ -7.114069547037063e-10 -5.464502143970419e-10 7.783234634480391e-10 ] [ -1.8243049509903053e-09 -1.7997017665836383e-09 -1.6143909744863311e-09 ] [ 3.5739817967250434e-10 -2.586257533944672e-10 1.3133270871954374e-09 ] [ 2.0166441714877385e-09 1.1052921434323374e-09 -3.0228593148664244e-09 ] [ 1.0249913716331654e-09 6.910122076268947e-10 -5.121684412417844e-10 ] [ 2.8852509283885055e-10 -4.744230826676812e-10 7.03781715512333e-11 ] [ 2.5530011538267266e-10 1.5102240195260604e-09 1.2150997214037965e-09 ] [ 1.1812237795865876e-09 -2.5351881541566723e-11 -1.328236462175616e-11 ] [ -9.373765033423796e-10 5.030913095966419e-10 4.854226660401216e-11 ] [ -1.1337153975559777e-09 -7.933366594732455e-10 2.458637757391469e-10 ] [ -4.222224059677344e-10 -1.0222960299039936e-10 -7.358619377729491e-10 ] [ 3.532756190095239e-10 -5.586658498246695e-10 -4.668366161505312e-10 ] [ -1.0701427916369166e-09 3.3266839126926182e-09 1.268308647851213e-10 ] [ -1.2948836310250983e-09 -3.119603866195515e-09 1.9432159363034881e-10 ] [ -4.6102824524714497e-10 1.2337205385260583e-09 4.975352815110317e-10 ] [ 2.541456189532566e-09 -2.1511576333872575e-10 4.3860097690918653e-10 ] [ -3.576508429256045e-10 1.1537802564665665e-10 -8.564377448128051e-10 ] [ -1.5323471947413907e-09 4.5352893713816644e-10 -2.2855759259955013e-09 ] [ -7.212821305236691e-10 4.050653374062355e-10 -3.389893305171744e-10 ] [ 4.5909938481336386e-10 -2.2476711508476291e-10 2.7125138581935743e-10 ] [ -9.056487599383392e-10 -7.936325814951072e-10 6.620700084957772e-10 ] [ -5.313814228430938e-10 -3.736101242453933e-10 -8.117512764644103e-10 ] [ 1.3113240459841134e-09 7.259866017353242e-10 6.200324187545511e-10 ] [ -8.42712859008384e-11 -8.165738280930182e-10 2.1096692697916416e-10 ] [ 4.2890780835334653e-10 4.0891793130861126e-10 -4.904317110273908e-10 ] [ -3.9648279768393407e-10 -2.970387389664576e-11 7.734115103639904e-10 ] [ 2.9149786747168017e-09 -1.4214442086142906e-09 -6.241323887271782e-10 ] [ -1.979280611602372e-09 1.6631570651642687e-09 1.7461642337112962e-11 ] [ -1.7729662453123488e-09 -1.4961525829185601e-09 2.3248500815011718e-09 ] [ 1.3324192646795386e-09 1.2671400202240013e-09 -1.1443293370157915e-09 ] [ -2.1148428583178666e-09 3.1801951418585914e-09 2.0205079806264596e-09 ] [ -1.5709955400589766e-09 2.678953064517677e-10 2.108448411206592e-10 ] [ -7.977851028608967e-10 -1.7923157323617504e-09 2.2165536765184514e-09 ] [ -2.474568199532083e-10 3.8118217117295614e-10 -4.6116987766042366e-10 ] [ 2.7937281911019265e-10 -6.247149401465011e-10 6.501600683673984e-11 ] [ -3.011678685535834e-10 3.4277895887835265e-10 -5.640615000305376e-10 ] [ 3.4068907969418117e-10 5.789401132195968e-10 1.8340210306718227e-09 ] [ -5.296791101834937e-10 -5.360857338370868e-10 -1.7549161235024162e-09 ] [ -2.815841432822208e-11 2.0372685104743106e-10 4.6139706630525315e-10 ] [ 1.6204183629337807e-09 -3.293847623284647e-10 -1.8786209814826946e-10 ] [ -2.0589917824050895e-09 6.859462853695873e-10 -1.6973265257384083e-09 ] [ 2.35596066647088e-10 -1.3867806367702965e-09 -6.644965049879789e-10 ] [ 5.530144922301216e-10 6.721360035512774e-10 -6.457902918518285e-10 ] [ 2.2155715422499008e-10 -1.4586087781633535e-09 -7.824300023448116e-10 ] [ -1.13322336911573e-09 1.299160801731986e-09 2.1382487361358104e-09 ] [ 2.6582833839327363e-11 -1.5128056067151554e-10 1.698905951451193e-09 ] [ 8.459558247065452e-10 -7.975292352545549e-10 -1.6627533166558273e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -185.30157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.968858432515347e-17 } }