{ "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" [ [ 0.381687 -0.1672063 -0.7873509 ] [ 0.8208192 0.6092394 -0.6158055 ] [ 0.9817615 -0.1452129 0.0017851 ] [ 0.2323089 0.002644 -0.6065149 ] [ -0.1189228 0.4081588 -0.5254213 ] [ -0.8369411 0.4422301 0.2774082 ] [ 0.5392038 -0.3718622 0.0043755 ] [ -0.6742885 -0.054179 0.1969406 ] [ 1.0961746 -0.6392732 -0.1287966 ] [ 0.599117 0.23401 0.6982372 ] [ 0.8254871 -0.5214408 -0.7938246 ] [ -0.1818883 -0.4445178 -0.2044115 ] [ -0.3422875 -0.1673759 1.3952831 ] [ 0.1813979 0.7505235 0.5017563 ] [ 0.4810118 0.0658484 -0.1648387 ] [ -1.4044743 -0.0179503 0.2144156 ] [ 0.578897 0.1637921 -0.6199278 ] [ -0.9866135 -0.70178 0.472003 ] [ -1.5212559 -0.8336758 -1.0927559 ] [ 0.3777767 -0.3187775 1.0066371 ] [ 1.6025418 0.6383543 -1.3597499 ] [ 0.1050957 0.4553551 -0.7152262 ] [ 0.6131746 -0.7687457 0.2899458 ] [ 0.1056957 0.2148918 0.6539416 ] [ 0.574232 0.3507415 1.1157595 ] [ -0.8934863 0.4800941 -0.0214401 ] [ -2.4257889 -0.8378368 0.8876939 ] [ 0.2353731 0.3967525 -0.9172973 ] [ -0.4776035 -0.9498556 -0.8472128 ] [ -0.6526658 2.5964626 0.7321583 ] [ -1.3049488 -2.1512701 -0.5650194 ] [ -0.5617247 0.4355684 0.4884981 ] [ 2.4925223 -0.8160591 -0.1750988 ] [ 0.1724351 0.1482283 -0.7547915 ] [ -0.4168358 -0.3643954 -0.070197 ] [ 0.1610309 -0.3896907 -1.1350997 ] [ 0.0342523 0.115948 0.5719667 ] [ -0.8416644 0.360902 1.0044726 ] [ -0.6054575 -0.0333347 0.6371655 ] [ 0.6157601 0.4739111 0.0682747 ] [ 0.431368 0.0381715 -0.2570786 ] [ -0.282811 0.2474409 0.5527093 ] [ -1.0118339 -0.2431342 -0.3227619 ] [ 1.6056838 -1.2719654 -0.8862661 ] [ -1.113338 0.8906153 -1.0703447 ] [ -0.3906095 -1.0861446 1.5074629 ] [ 3.3867073 1.7870312 -1.2746892 ] [ -0.7657959 2.2892689 1.8388685 ] [ -1.1098596 0.6537108 0.4549859 ] [ 0.1570836 -1.1159642 1.138196 ] [ -0.3451128 0.1716502 0.4333229 ] [ -0.0374588 -0.0869892 0.0981782 ] [ -0.4025012 0.4795428 -0.4461243 ] [ -0.5748414 0.8513893 1.3596575 ] [ -0.1745575 -0.1349325 -1.0873604 ] [ 0.3330143 -0.7185157 -0.8197929 ] [ 0.7264763 -0.5375749 0.708401 ] [ -0.9265897 0.0001526 -0.8838598 ] [ -0.1613287 0.0103786 -0.3447158 ] [ 0.4256899 0.5968565 -0.3361941 ] [ 0.1626159 -1.1623246 0.1116181 ] [ -0.515825 0.4992462 0.8273152 ] [ -0.2105641 0.1330784 1.2512888 ] [ 1.2334796 -0.9402041 -1.6707544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.11529992901558e-10 -2.678940269175942e-10 -1.2614752147388706e-09 ] [ 1.3150973429785728e-09 9.761091311921795e-10 -9.86629183188687e-10 ] [ 1.572955335460791e-09 -2.3265671533537862e-10 2.8600455093534e-12 ] [ 3.721998914502426e-10 4.236155020296e-12 -9.717440009528465e-10 ] [ -1.905353314098552e-10 6.539424923214792e-10 -8.418177298659042e-10 ] [ -1.3409274744542573e-09 7.085307330714834e-10 4.444569361199988e-10 ] [ 8.638997293240092e-10 -5.957889279078348e-10 7.010323862067e-12 ] [ -1.080329279274909e-09 -8.6804327853486e-11 3.155336276059404e-10 ] [ 1.7562653309042967e-09 -1.0242285837824088e-09 -2.0635490305864443e-10 ] [ 9.598912584321781e-10 3.7492535412233997e-10 1.1186993268295848e-09 ] [ 1.3225761432884215e-09 -8.354402657742672e-10 -1.2718472256143963e-09 ] [ -2.914171842579822e-10 -7.121960325570852e-10 -3.2750332902089097e-10 ] [ -5.484050346102751e-10 -2.681657560747206e-10 2.2354899806350857e-09 ] [ 2.906314768366686e-10 1.202471214967899e-09 8.039022198222943e-10 ] [ 7.706658666382812e-10 1.055007678662856e-10 -2.6410071351893583e-10 ] [ -2.250215906513506e-09 -2.87595512332902e-11 3.435316642850904e-10 ] [ 9.27495246892698e-10 2.624238754537914e-10 -9.932338359270252e-10 ] [ -1.580729096488959e-09 -1.1243755182085198e-09 7.56232177777902e-10 ] [ -2.437320657314641e-09 -1.3356958870912572e-09 -1.7507879696456405e-09 ] [ 6.052650016096278e-10 -5.10737861944935e-10 1.6128104405375214e-09 ] [ 2.5675550269683013e-09 1.0227563436734263e-09 -2.1785595178638366e-09 ] [ 1.683818748738738e-10 7.295593013927334e-10 -1.145918705664611e-09 ] [ 9.824140166822965e-10 -1.2316663980279737e-09 4.6454438588643717e-10 ] [ 1.693431808542738e-10 3.442946207982012e-10 1.0477299515205743e-09 ] [ 9.20021092895088e-10 5.61949835874111e-10 1.787643800063523e-09 ] [ -1.4315228726591141e-09 7.691955491412595e-10 -3.43508272506234e-11 ] [ -3.886542294596563e-09 -1.3423625440653314e-09 1.4222424247243327e-09 ] [ 3.771092810921454e-10 6.35667584981085e-10 -1.4696723004912883e-09 ] [ -7.65205168016619e-10 -1.5218364479940505e-09 -1.357384552185715e-09 ] [ -1.0456858945709172e-09 4.159991708774889e-09 1.1730469206491622e-09 ] [ -2.090758475926339e-09 -3.4467146876428434e-09 -9.052608804366995e-10 ] [ -8.999821890806597e-10 6.978575129887657e-10 7.826602415733953e-10 ] [ 3.993460988783938e-09 -1.3074708219830695e-09 -2.805392060014392e-10 ] [ 2.762714881014534e-10 2.374879187575422e-10 -1.209309304841811e-09 ] [ -6.678445789746972e-10 -5.838257954170836e-10 -1.1246799317689799e-10 ] [ 2.579999453319906e-10 -6.243533340271038e-10 -1.8186302166004098e-09 ] [ 5.48782347207582e-11 1.85769176359032e-10 9.163916821660878e-10 ] [ -1.3484950353496296e-09 5.78228751563868e-10 1.6093425292132282e-09 ] [ -9.70049859380055e-10 -5.34080774413998e-11 1.0208516760909271e-09 ] [ 9.865564443695034e-10 7.592892910132373e-10 1.0938812903335979e-10 ] [ 6.91127730255312e-10 6.1157485384731e-11 -4.1188532602143237e-10 ] [ -4.5311317603817394e-10 3.964440282759306e-10 8.855379258544962e-10 ] [ -1.6211366320690928e-09 -3.895439341662828e-10 -5.171215745254446e-10 ] [ 2.5725890659523293e-09 -2.0379132431364637e-09 -1.4199548369263074e-09 ] [ -1.783764129344292e-09 1.4269230235429003e-09 -1.7148812686657397e-09 ] [ -6.25825413918423e-10 -1.7401954992652763e-09 2.4152218350018784e-09 ] [ 5.426103302257228e-09 2.8631396328689807e-09 -2.042277251852153e-09 ] [ -1.2269402973930005e-09 3.6678131405228827e-09 2.946192143698629e-09 ] [ -1.7781911181405866e-09 1.0473601691534474e-09 7.289677777794606e-10 ] [ 2.516756735046024e-10 -1.787971765620503e-09 1.823591036112264e-09 ] [ -5.529316642543152e-10 2.750139396614268e-10 6.942598253571186e-10 ] [ -6.00156140976792e-11 -1.393720636503528e-10 1.572988180081788e-10 ] [ -6.448780177969608e-10 7.683122691629352e-10 -7.147699293196062e-10 ] [ -9.209974593358475e-10 1.3640760428976162e-09 2.178411476742855e-09 ] [ -2.79671947789455e-10 -2.16185698667205e-10 -1.7421434256168935e-09 ] [ 5.335477302478662e-10 -1.1511890657021538e-09 -1.3134530290990987e-09 ] [ 1.1639433530147741e-09 -8.612899438048865e-10 1.134983529702234e-09 ] [ -1.4845603666450697e-09 2.444921543484e-13 -1.4160995192919132e-09 ] [ -2.584770735335958e-10 1.66283504136324e-11 -5.522956001306172e-10 ] [ 6.820304111097966e-10 9.56269538151021e-10 -5.386423315086594e-10 ] [ 2.605393952968806e-10 -1.8622493152433965e-09 1.788319117514754e-10 ] [ -8.264427622330499e-10 7.998805962532907e-10 1.325505082393037e-09 ] [ -3.373608809792394e-10 2.1321510297010563e-10 2.004785677745899e-09 ] [ 1.976252193635666e-09 -1.5063730402109994e-09 -2.67684366083269e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -244.06206 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.91030529777906e-17 } }