{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.0653812e-09 0.0 0.0 ] "source-value" [ 10.653812 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.0653812e-09 0.0 ] "source-value" [ 0 10.653812 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.0653812e-09 ] "source-value" [ 0 0 10.653812 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.71353981142665e-10 -1.8224042888650504e-09 -1.876730893723137e-09 ] [ 1.4087740356793421e-09 1.4526395487272392e-09 -1.295201342649003e-09 ] [ 5.623464340450361e-09 -2.783936168248583e-09 -5.69655820137385e-10 ] [ 2.393333038327661e-10 4.782248875711776e-10 -8.351111718133364e-10 ] [ 2.4610201940265987e-09 -4.686707879460231e-10 -2.1843241313967765e-09 ] [ 3.2824881910431745e-10 -2.2388143184878464e-10 3.8278258539947326e-10 ] [ -6.26729356811833e-10 2.3326903327950567e-09 2.06552609953536e-11 ] [ 3.3508242282735363e-11 -1.0615745112865402e-09 3.0423179101437027e-09 ] [ 4.34384512674461e-09 -2.2187614759019137e-10 -1.308210856592237e-09 ] [ 2.287723964191008e-09 1.5493773709145224e-09 -3.114427874404359e-10 ] [ 1.6715346864967699e-09 -8.350986748356941e-10 -2.2443304523755986e-09 ] [ -9.245803993250363e-10 -2.232334154927359e-09 -6.402103432692697e-09 ] [ 1.2454372561539687e-09 2.091928368069523e-10 7.385127069485303e-09 ] [ 1.3663868509994574e-09 2.3347143625201134e-09 2.7970523871547622e-09 ] [ 1.2113663294420083e-09 -4.845108673252244e-10 1.6229446750294578e-09 ] [ 1.8997953477031872e-10 -2.381608950687295e-09 1.3018324312471699e-09 ] [ 3.2740698744245052e-09 -1.8675263890366405e-09 1.969148767087757e-10 ] [ -1.7744336788793393e-09 -1.9253564735114305e-10 2.3065343188075105e-09 ] [ -1.4401701125011107e-08 -4.7864074853487245e-09 -1.0696643816979457e-09 ] [ 9.09577857774358e-09 1.7322198497098252e-09 8.536873362731765e-09 ] [ 7.629262417085931e-09 2.3401838730682004e-09 -1.0451344488063818e-08 ] [ -3.4560615974341634e-10 2.0104062570323156e-09 -3.5812662529491727e-09 ] [ 2.8099806707433216e-09 -3.1170277264069304e-09 -2.001548623584223e-09 ] [ 4.0649303699303046e-10 -2.0950015030458796e-09 1.8057246689365497e-09 ] [ 2.3072254978017236e-09 2.4557801151706103e-09 2.2199728816449005e-09 ] [ 1.048896968339136e-10 9.786762907497275e-10 9.304483711987162e-10 ] [ -6.558852863041652e-09 -9.63006522745317e-10 2.1480734433922177e-09 ] [ 5.766203216903405e-10 2.7297092187763103e-09 -3.820652588828087e-09 ] [ 1.550219635164077e-10 -4.562950950739777e-09 1.7297946349589203e-09 ] [ -3.416306788942253e-09 2.413100661431559e-08 4.101617330628707e-09 ] [ -9.104259379250462e-09 -1.8676994401334534e-08 -2.740722260432366e-09 ] [ -2.6114961415991483e-09 1.834682409180889e-09 -3.714662517091008e-11 ] [ 1.7615706519445452e-08 2.989586912982271e-09 1.94022819734102e-09 ] [ 5.67264571530841e-10 9.449060925894911e-10 -3.3988645329422514e-09 ] [ -9.437430405369202e-09 2.525936865912849e-09 -5.0596846632874214e-09 ] [ 2.6996587940765855e-09 -1.1937204367935034e-09 -5.9465482227822045e-09 ] [ 2.2152785041459568e-09 -9.913974129012175e-10 7.290528473522113e-10 ] [ 8.837478066203136e-10 3.4093033544974116e-09 4.272049028883968e-09 ] [ -1.4506512475408263e-09 -5.0593212896298244e-11 6.329620641932381e-09 ] [ 1.8832711389069044e-09 1.756796758419911e-09 -1.7032204528733452e-09 ] [ 2.485452426187826e-09 -2.5164335552865734e-09 -2.6062257816050268e-09 ] [ -2.8767824636416054e-09 -6.052526598629953e-11 2.724190681623627e-09 ] [ -3.952182797859677e-09 -3.0921239736662017e-10 3.6471610536624215e-09 ] [ 1.4204079688412558e-08 -7.348776405659607e-09 -3.7466836190343166e-10 ] [ -2.8965882505926105e-09 1.0807765339997635e-08 -7.3944025505961e-09 ] [ -1.1755543494397571e-08 -6.299871586655029e-09 5.0137617952407556e-09 ] [ 6.1872850333347915e-09 6.126108162116814e-10 -3.112683264281969e-09 ] [ -8.954323685634445e-09 1.6706247302849864e-08 7.873322302167718e-09 ] [ -3.982132605867615e-09 1.1065661942811976e-09 -1.1767102878281318e-09 ] [ -1.322265262062258e-08 -1.0567297214464355e-08 1.3183522821230442e-08 ] [ -1.4374260806244328e-09 -7.571575887636365e-10 1.4162707803057275e-09 ] [ -4.396538472755453e-09 -3.031123662311835e-09 -5.003020803174912e-11 ] [ -6.604812901585921e-10 3.286862934306269e-09 1.1426452891696685e-09 ] [ -9.800222793288615e-10 2.619882895338388e-09 3.1051515922052503e-09 ] [ 1.640288557384942e-09 -2.3669613713669552e-09 -4.962791109532596e-09 ] [ -1.365993356421389e-10 -2.6629562922649614e-09 -1.77976171723181e-09 ] [ 4.053334135984278e-09 -7.328242269216785e-09 -3.1490063706697882e-09 ] [ -1.183517936289911e-08 6.32619743136438e-09 -7.622912991137701e-09 ] [ -7.632524288468218e-10 -3.191837999144283e-09 -1.1866774285861287e-09 ] [ 1.1910843755993012e-09 1.7294378302254682e-09 -2.000656371424099e-09 ] [ 6.785139482433581e-10 -5.444037541992941e-10 3.0692812609304696e-09 ] [ -1.301832271029508e-09 4.676357978707525e-09 5.617450250068863e-09 ] [ 2.729801664367331e-09 2.4295346997276233e-09 7.294187204053372e-09 ] [ 1.1327499099025174e-08 -1.0499640660338874e-08 -1.5632261370152638e-08 ] ] "source-value" [ [ 0.4190262 -1.1374553 -1.1713633 ] [ 0.8792876 0.9066663 -0.8084011 ] [ 3.5098904 -1.7375963 -0.3555512 ] [ 0.1493801 0.2984845 -0.5212354 ] [ 1.536048 -0.2925213 -1.3633479 ] [ 0.2048768 -0.1397358 0.2389141 ] [ -0.3911737 1.4559508 0.012892 ] [ 0.0209142 -0.6625827 1.8988655 ] [ 2.7112149 -0.1384842 -0.816521 ] [ 1.427885 0.9670453 -0.1943873 ] [ 1.0432899 -0.5212276 -1.4008009 ] [ -0.5770777 -1.3933134 -3.9958787 ] [ 0.7773408 0.1305679 4.6094338 ] [ 0.8528316 1.4572141 1.7457828 ] [ 0.7560754 -0.3024079 1.0129624 ] [ 0.1185759 -1.4864834 0.8125399 ] [ 2.0435137 -1.1656183 0.1229046 ] [ -1.1075144 -0.1201713 1.4396255 ] [ -8.9888349 -2.9874406 -0.667632 ] [ 5.6771385 1.0811666 5.3282973 ] [ 4.7618111 1.4606279 -6.5232162 ] [ -0.2157104 1.2547969 -2.2352506 ] [ 1.753852 -1.9454957 -1.2492684 ] [ 0.253713 -1.3075971 1.1270447 ] [ 1.4400569 1.5327774 1.3855981 ] [ 0.065467 0.6108417 0.5807402 ] [ -4.093714 -0.6010614 1.340722 ] [ 0.3598981 1.7037505 -2.3846638 ] [ 0.0967571 -2.84797 1.0796529 ] [ -2.132291 15.0613898 2.5600282 ] [ -5.6824318 -11.6572631 -1.7106243 ] [ -1.6299677 1.1451187 -0.0231851 ] [ 10.9948593 1.8659534 1.2109952 ] [ 0.3540587 0.589764 -2.1214044 ] [ -5.8903808 1.5765658 -3.1580068 ] [ 1.6849945 -0.7450617 -3.7115435 ] [ 1.3826681 -0.6187816 0.455039 ] [ 0.551592 2.1279198 2.6664033 ] [ -0.9054253 -0.0315778 3.9506385 ] [ 1.1754454 1.0965063 -1.0630666 ] [ 1.5512974 -1.5706343 -1.6266782 ] [ -1.7955464 -0.0377769 1.7003061 ] [ -2.4667585 -0.1929952 2.2763789 ] [ 8.8654893 -4.5867455 -0.2338496 ] [ -1.8079082 6.7456766 -4.6152231 ] [ -7.3372332 -3.9320706 3.129344 ] [ 3.8617996 0.3823616 -1.9427841 ] [ -5.5888493 10.4272195 4.9141413 ] [ -2.4854517 0.6906643 -0.7344448 ] [ -8.2529307 -6.5955882 8.2285078 ] [ -0.8971708 -0.4725806 0.8839667 ] [ -2.7441035 -1.8918786 -0.0312264 ] [ -0.41224 2.0514985 0.7131831 ] [ -0.6116818 1.6352023 1.9380832 ] [ 1.0237876 -1.4773411 -3.0975306 ] [ -0.0852586 -1.6620866 -1.1108399 ] [ 2.5298922 -4.5739291 -1.9654552 ] [ -7.386938 3.9485019 -4.7578481 ] [ -0.4763847 -1.9921886 -0.7406658 ] [ 0.7434164 1.0794302 -1.2487115 ] [ 0.4234951 -0.3397901 1.9156947 ] [ -0.8125398 2.9187531 3.5061367 ] [ 1.7038082 1.5163963 4.5526736 ] [ 7.0700689 -6.5533603 -9.7568902 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.574689157703127e-17 "source-value" -223.11455 } }