{ "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" [ [ 6.02665149585636e-10 -2.71823685547806e-10 -1.2600548851528294e-09 ] [ 1.314327977758926e-09 9.737632241646768e-10 -9.8927149289348e-10 ] [ 1.575337291462559e-09 -2.3456667010077e-10 -1.77040518057e-13 ] [ 3.7495563526072263e-10 5.8969713191004e-12 -9.672210563150645e-10 ] [ -1.8433234435366082e-10 6.564265069748328e-10 -8.35164210740229e-10 ] [ -1.3424670059818682e-09 7.048769692576464e-10 4.472408782392372e-10 ] [ 8.587597864644738e-10 -5.955409109648916e-10 5.0574307628844e-12 ] [ -1.0837246119976816e-09 -8.05306848077322e-11 3.1213525074756304e-10 ] [ 1.755127304841166e-09 -1.0162652852584386e-09 -1.680782624017308e-10 ] [ 9.600147862506592e-10 3.7360548101125083e-10 1.1143681627348926e-09 ] [ 1.3215143808330697e-09 -8.342794888029342e-10 -1.2673822797707651e-09 ] [ -4.5508353286266717e-10 -5.244087545098668e-10 -1.010150738352441e-09 ] [ -7.318677174870005e-10 1.843946690247234e-10 2.7162258033670632e-09 ] [ 2.8730407640317743e-10 1.2150085675642759e-09 8.125738406361558e-10 ] [ 8.528987039019751e-10 1.4430644724774598e-10 -2.867160775784994e-10 ] [ -2.2414250837580753e-09 -6.012968907402e-13 3.467874474230418e-10 ] [ 9.274870757918646e-10 2.6327206776383103e-10 -9.936596944763424e-10 ] [ -1.5753254353554672e-09 -1.1456144523218142e-09 7.545127218142932e-10 ] [ -2.395079911229884e-09 -1.297805531220801e-09 -1.7515103910899111e-09 ] [ 6.071970664125684e-10 -5.12270343895356e-10 1.6163357097853116e-09 ] [ 2.5447369875645367e-09 1.0086017539826897e-09 -2.1549226059824343e-09 ] [ 1.623427904873376e-10 7.228093312336914e-10 -1.1592507378714516e-09 ] [ 9.699519663877176e-10 -1.2332629670437549e-09 4.932267122059686e-10 ] [ 1.879415676570726e-10 3.424053341113884e-10 1.026228580874631e-09 ] [ 9.795493248607044e-10 4.738509493003529e-10 1.695930082568134e-09 ] [ -1.4281155236115865e-09 7.689633937469928e-10 -3.54781187303058e-11 ] [ -3.530130732350746e-09 -1.2396061445554242e-09 1.3979748961197882e-09 ] [ 3.7152072877509003e-10 6.323948187708132e-10 -1.471384546660044e-09 ] [ -4.25909017881171e-10 -2.090476492838755e-09 -1.1684456295739776e-09 ] [ -1.038367472142132e-09 4.124905001796269e-09 1.1602953570368197e-09 ] [ -2.0552452695277487e-09 -3.4384322355333803e-09 -8.707850834086241e-10 ] [ -8.971482590504406e-10 7.015088735376516e-10 7.907723823066642e-10 ] [ 3.969223100447123e-09 -1.335055336872984e-09 -2.824041396034152e-10 ] [ 2.725605265817826e-10 2.373094362805146e-10 -1.213451732529018e-09 ] [ -6.647563835126622e-10 -5.795343653029146e-10 -1.128114998472276e-10 ] [ 2.534959063784898e-10 -6.235525661454306e-10 -1.8223817131889209e-09 ] [ 5.046055308783e-11 1.835905365721188e-10 9.062781023816263e-10 ] [ -1.3556146276581354e-09 5.789694378217663e-10 1.58153258807091e-09 ] [ -9.622286739235207e-10 -6.88570656347448e-11 1.0310021059379707e-09 ] [ 9.92210365493226e-10 7.578753701337324e-10 1.385323628764734e-10 ] [ 6.903894472623648e-10 6.53995684585728e-11 -3.9497403121423563e-10 ] [ -4.479650620778052e-10 3.775005326261682e-10 8.686149351578713e-10 ] [ -1.6165284516343818e-09 -3.858387404824944e-10 -4.697671612779504e-10 ] [ 2.4831725493147696e-09 -2.0553021467982556e-09 -1.4455220512163526e-09 ] [ -1.7758274269524462e-09 1.44280011333285e-09 -1.7386782379928786e-09 ] [ -5.547732060774348e-10 -1.7161423418943614e-09 2.4279150793847435e-09 ] [ 5.088660069399001e-09 2.721475975979018e-09 -1.9674946961542223e-09 ] [ -1.2395088924337403e-09 3.673091191008269e-09 2.9455414997675616e-09 ] [ -1.7789564779186484e-09 1.0422545128738794e-09 7.248870338926626e-10 ] [ 2.589312906093348e-10 -1.7779070522233782e-09 1.811808629145828e-09 ] [ -5.523619302432648e-10 2.65750635016629e-10 6.962343478408602e-10 ] [ -4.6017717281748e-11 -1.337876769925458e-10 1.5592703437414801e-10 ] [ -6.405104842926768e-10 7.733264411567016e-10 -7.097406968654802e-10 ] [ -9.256208604485815e-10 1.3708913818633254e-09 2.177497434973158e-09 ] [ -2.907500379075846e-10 -2.2714090183750683e-10 -1.7420524219840825e-09 ] [ 5.299234464840948e-10 -1.1478725600697738e-09 -1.3164013545409853e-09 ] [ 1.1480473575405433e-09 -8.634288496112766e-10 1.1645912732455638e-09 ] [ -1.4902843028876981e-09 1.19365363586268e-11 -1.4093284004013024e-09 ] [ -2.461523297765508e-10 4.7364506960288405e-11 -5.585490557507827e-10 ] [ 6.81179014446489e-10 9.61732960472961e-10 -5.328660040900992e-10 ] [ 2.463670214455068e-10 -1.8414001907051546e-09 1.266626372834844e-10 ] [ -8.243232427639313e-10 7.736145125154948e-10 1.2951478406203219e-09 ] [ -3.3954512838437156e-10 2.1164913552803399e-10 2.0043856142403897e-09 ] [ 1.8176940647931635e-09 -1.522218406903596e-09 -2.640147567425217e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -243.91865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.908007616268241e-17 } }