{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07125679e-09 0.0 0.0 ] "source-value" [ 10.7125679 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.07125679e-09 0.0 ] "source-value" [ 0 10.7125679 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.07125679e-09 ] "source-value" [ 0 0 10.7125679 ] } "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" [ [ 1.5236228623881485e-09 -8.222940792822605e-10 -7.389892263190887e-10 ] [ 1.4872162825983858e-09 -3.999425378788896e-10 -2.017252197515332e-09 ] [ -2.3882716021648915e-09 2.7644303087609915e-09 8.682512339086118e-10 ] [ -2.5185864000119426e-09 9.962656265635181e-10 -3.6936466061383126e-09 ] [ 1.1614530803035777e-10 -1.7412620539046344e-09 -4.338764784897715e-10 ] [ -3.3964256996900702e-09 -3.280376682474622e-09 -4.8389476632746195e-09 ] [ 4.510032338696049e-09 3.220741746036501e-09 2.070672130623708e-09 ] [ 1.8897203804586104e-09 -5.542441788083518e-09 2.4025385043201292e-09 ] [ -5.012255749217204e-10 9.58534206926016e-11 -1.462779404124958e-09 ] [ -2.0931529116608007e-09 5.850344726497959e-10 9.154300482083232e-10 ] [ -9.437909776614145e-11 1.197706812443716e-09 1.5356545679397082e-09 ] [ 2.1801201801614594e-10 -1.0959657131049984e-09 8.129420141289888e-10 ] [ -4.9103368082735776e-09 2.929858249211833e-09 6.381005169861693e-09 ] [ -1.2340741389062688e-09 1.1939886411598254e-09 8.926613560324723e-10 ] [ -7.292909307980622e-10 4.330080827395317e-09 9.071480768200839e-10 ] [ -6.943144538600256e-10 6.56724025765154e-10 -8.917755125788321e-10 ] [ -1.2085762990745472e-10 4.3577265452048834e-10 -1.4480145454759758e-09 ] [ 7.399673711678533e-09 -1.5208683362546045e-08 -5.247837396274704e-09 ] [ 1.5504614196379217e-08 -3.0581198577193286e-09 1.7901679024492044e-08 ] [ -1.0347441251375331e-08 1.2198898449775997e-08 1.1370049385285055e-08 ] [ -6.295738772061675e-09 1.401448083080734e-09 -1.677965663234999e-09 ] [ -1.2556935897920198e-09 -2.429051963911776e-10 -1.2355894775542216e-09 ] [ 1.329772468901977e-09 -2.7830754789678895e-09 4.624248465857301e-09 ] [ -6.287732535269876e-10 5.57757575898338e-10 6.672780438193498e-10 ] [ -2.8602468793913147e-09 -4.165866535734732e-09 -1.2195601811161037e-09 ] [ 1.7750888088995847e-09 4.074277468336051e-10 1.0090290461777972e-09 ] [ -6.774755615536515e-09 9.402986972592905e-09 2.7355388986287537e-09 ] [ -1.485868211189645e-10 -4.139286425595659e-09 -6.46764575454937e-10 ] [ 3.3828982020453313e-10 2.891034785989594e-10 3.188583657992114e-09 ] [ 4.078872510884505e-09 -6.823440956512763e-09 -2.5303537303993038e-08 ] [ -4.7747820917882e-09 2.1855413049755984e-09 -8.982557242046184e-09 ] [ 3.2614849372857833e-09 2.161780384818486e-09 3.5655844686201063e-09 ] [ 1.4562643131141372e-09 -1.834435673981286e-09 -1.1231546503599746e-10 ] [ 3.866327439933854e-09 -1.1864550945364603e-08 -4.905400982757878e-09 ] [ 1.836703234552704e-09 -5.2284557054752245e-09 4.441621159382171e-09 ] [ 8.752697288136884e-10 1.8476597193740447e-09 1.2888756289147603e-09 ] [ 2.831836923333627e-09 4.927327570901837e-09 2.015289050501866e-09 ] [ -2.8208732287174926e-09 4.6638243112206685e-09 -5.975500515626034e-09 ] [ 1.3270018248716276e-09 -1.0197243922317136e-08 -3.6976893784055775e-09 ] [ 8.07599155642776e-09 -1.4895065940778195e-09 7.408117022252487e-10 ] [ 4.6290952103528833e-10 1.4505173055753274e-09 -1.9477005888827695e-09 ] [ -4.278416078775028e-09 5.649100928777444e-09 6.9969049342405525e-09 ] [ 3.6390210351227853e-09 1.1627689479622408e-09 -3.8671384617393024e-10 ] [ 7.423589241879552e-11 6.090833039456659e-10 -4.232308159328659e-10 ] [ 8.585229776847765e-10 -1.6939121271418215e-09 7.10543221287433e-10 ] [ 2.8794166022238624e-09 -1.224561535655593e-09 4.005573891788878e-09 ] [ -5.280709894874306e-09 2.2870436799978165e-09 -6.111276973355729e-09 ] [ -1.1133400368162778e-09 -4.290625465713834e-09 1.242685998460731e-09 ] [ 7.600677823776577e-11 1.1836685408922663e-09 -4.828205709902803e-10 ] [ 7.147818916901229e-09 -2.2282125555703506e-09 -1.0075992637613951e-09 ] [ 8.623695634248241e-09 2.6785839230242444e-09 1.90321711631223e-09 ] [ -2.0823882073809697e-08 9.669311985738626e-09 4.430730203584621e-09 ] [ -2.2396133239686395e-09 -1.4033176629795456e-10 -1.3896187324363814e-09 ] [ -1.1114630869050106e-09 1.5400408468744723e-09 -5.313207003491654e-10 ] [ -1.242301636289401e-09 6.417334204303009e-10 -2.7545982314921284e-10 ] [ 1.7084156707839515e-09 3.5875890827654977e-10 -2.185553161082592e-10 ] [ -1.5774189865670881e-09 -5.597231261767353e-10 1.2331548099612538e-09 ] [ -1.106072723881991e-09 2.835856784475214e-09 -3.517660481974061e-09 ] [ -5.324036115271642e-10 -6.214333619917786e-10 -2.9971722579757865e-09 ] [ -2.1020837645804643e-09 1.1568386514180116e-09 -1.0988457857985485e-09 ] [ 1.1888568694434029e-09 1.9246020085406956e-09 3.513026506533721e-09 ] [ 3.1009341826863186e-09 -1.653287817397803e-09 9.303773947744148e-10 ] [ 2.9001574194507667e-09 -1.7807267082105177e-09 -2.287587298525254e-09 ] [ -3.6641987600656706e-10 2.5125465145868504e-09 1.9044562397107565e-09 ] ] "source-value" [ [ 0.9509706 -0.5132356 -0.4612408 ] [ 0.9282474 -0.2496245 -1.2590698 ] [ -1.4906419 1.7254217 0.5419198 ] [ -1.571978 0.6218201 -2.3053929 ] [ 0.0724922 -1.0868103 -0.2708044 ] [ -2.1198822 -2.0474501 -3.0202336 ] [ 2.8149408 2.0102289 1.2924119 ] [ 1.1794707 -3.4593201 1.4995466 ] [ -0.3128404 0.059827 -0.9129951 ] [ -1.3064433 0.3651498 0.5713665 ] [ -0.0589068 0.7475498 0.9584802 ] [ 0.1360724 -0.684048 0.5073985 ] [ -3.0647912 1.8286737 3.9827102 ] [ -0.7702485 0.7452291 0.5571554 ] [ -0.4551876 2.7026239 0.5661973 ] [ -0.433357 0.4098949 -0.5566025 ] [ -0.0754334 0.2719879 -0.9037796 ] [ 4.6185131 -9.4925136 -3.2754425 ] [ 9.6772191 -1.9087283 11.1733493 ] [ -6.4583649 7.6139536 7.0966267 ] [ -3.9294911 0.8747151 -1.0473038 ] [ -0.7837423 -0.1516095 -0.7711943 ] [ 0.8299787 -1.7370591 2.8862289 ] [ -0.3924494 0.3481249 0.4164822 ] [ -1.7852257 -2.6001294 -0.7611896 ] [ 1.1079233 0.2542964 0.6297864 ] [ -4.2284699 5.8688829 1.7073891 ] [ -0.0927406 -2.5835394 -0.4036787 ] [ 0.2111439 0.1804442 1.9901574 ] [ 2.545832 -4.2588569 -15.7932259 ] [ -2.9801846 1.3641076 -5.6064713 ] [ 2.0356588 1.3492772 2.2254628 ] [ 0.9089287 -1.1449647 -0.0701018 ] [ 2.4131718 -7.4052703 -3.0617105 ] [ 1.14638 -3.2633454 2.7722419 ] [ 0.5463004 1.1532185 0.8044529 ] [ 1.7674936 3.075396 1.2578445 ] [ -1.7606506 2.9109302 -3.7296141 ] [ 0.8282494 -6.3646191 -2.3079162 ] [ 5.0406375 -0.9296769 0.4623783 ] [ 0.2889254 0.9053417 -1.2156591 ] [ -2.6703773 3.5258915 4.3671246 ] [ 2.2712983 0.7257433 -0.2413678 ] [ 0.0463344 0.3801599 -0.2641599 ] [ 0.5358479 -1.0572568 0.4434862 ] [ 1.7971905 -0.7643112 2.5000826 ] [ -3.2959599 1.4274604 -3.8143591 ] [ -0.6948922 -2.6779978 0.7756236 ] [ 0.0474397 0.7387878 -0.3013529 ] [ 4.4613177 -1.3907409 -0.628894 ] [ 5.3824875 1.6718406 1.1878947 ] [ -12.997245 6.0351099 2.7654443 ] [ -1.3978567 -0.0875882 -0.8673318 ] [ -0.6937207 0.9612179 -0.3316243 ] [ -0.7753837 0.4005385 -0.1719285 ] [ 1.0663092 0.2239197 -0.1364115 ] [ -0.9845475 -0.3493517 0.7696747 ] [ -0.6903563 1.7700026 -2.195551 ] [ -0.3323002 -0.3878682 -1.8706878 ] [ -1.3120175 0.7220419 -0.6858456 ] [ 0.7420261 1.2012421 2.1926587 ] [ 1.9354509 -1.0319011 0.5806959 ] [ 1.8101359 -1.1114422 -1.4277997 ] [ -0.2287013 1.5682082 1.1886681 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.7542769e-10 2.4791759000000003e-10 9.091595000000001e-11 ] [ 1.4170189e-10 3.1594470000000006e-11 1.8096709e-10 ] [ 4.6370508999999994e-10 1.1737229e-10 4.4278830000000004e-11 ] [ 1.768713e-11 5.1806699e-10 1.6359419e-10 ] [ 3.8985859e-10 3.2215599000000003e-10 1.7003379e-10 ] [ 3.7182349e-10 2.2162899e-10 3.9523599e-10 ] [ 1.4530869e-10 5.4878689e-10 3.7271719e-10 ] [ 9.606929000000001e-11 3.3551749000000003e-10 2.9297129000000003e-10 ] [ 1.6150159e-10 1.5754369e-10 7.681181899999999e-10 ] [ 2.2624769e-10 1.0350759e-10 5.3957209e-10 ] [ 5.1358689e-10 1.0156739e-10 7.301422899999999e-10 ] [ 1.4923839e-10 4.4727349e-10 5.9776039e-10 ] [ 3.8875579e-10 3.8163769e-10 5.6746739e-10 ] [ 1.342108e-11 5.929366e-11 9.234901900000001e-10 ] [ 3.4984299000000004e-10 1.0841118999999999e-10 8.982340900000001e-10 ] [ 6.907213e-11 4.0830419e-10 1.02385479e-09 ] [ 2.0520449e-10 3.8455319e-10 8.2828479e-10 ] [ 4.682821900000001e-10 4.4340319e-10 1.0482537900000001e-09 ] [ 9.295569e-11 7.423726900000001e-10 1.2843589e-10 ] [ 3.6006619e-10 6.2710679e-10 7.400148000000002e-11 ] [ 4.7847439e-10 9.0760529e-10 1.9185829e-10 ] [ 4.4913339e-10 5.8148199e-10 4.5452299e-10 ] [ 5.2824869e-10 8.019851899999999e-10 3.9931939000000005e-10 ] [ 1.2571569e-10 1.0138167899999999e-09 3.9813359e-10 ] [ 3.0119159e-10 8.6241039e-10 4.415588899999999e-10 ] [ 4.371623e-11 6.5948439e-10 6.6398939e-10 ] [ 4.740986899999999e-10 7.0455919e-10 7.9869049e-10 ] [ 8.964767000000001e-11 8.8094369e-10 7.3769959e-10 ] [ 3.9853059e-10 1.02274179e-09 5.8755739e-10 ] [ 3.658932e-11 7.2758629e-10 9.7639099e-10 ] [ 3.2032399e-10 5.7535449e-10 9.188162900000001e-10 ] [ 1.4004219e-10 9.346911900000001e-10 9.6011579e-10 ] [ 5.3170449e-10 9.6370599e-10 1.0407787900000002e-09 ] [ 3.5791779e-10 9.4941499e-10 8.9132929e-10 ] [ 7.725482899999999e-10 6.333289000000002e-11 1.0530529e-10 ] [ 5.813558899999999e-10 4.2113620000000006e-11 2.4437889e-10 ] [ 8.0981029e-10 2.9638258999999997e-10 6.537495e-11 ] [ 8.691582900000001e-10 4.6468828999999996e-10 2.3111309000000003e-10 ] [ 9.513917899999999e-10 2.7765229e-10 3.4561659e-10 ] [ 5.8625569e-10 2.9518139e-10 4.5581068999999997e-10 ] [ 5.569878900000001e-10 4.5707739e-10 2.8607829e-10 ] [ 8.712784899999999e-10 4.6090259e-10 4.718842899999999e-10 ] [ 6.9378509e-10 1.2774269e-10 5.832932899999999e-10 ] [ 9.2531369e-10 7.382356e-11 5.853990899999999e-10 ] [ 8.8873599e-10 3.4446319e-10 7.6610119e-10 ] [ 1.02210279e-09 3.0019129000000003e-10 5.7462969e-10 ] [ 6.5917359e-10 1.8088679e-10 1.00055579e-09 ] [ 7.2482559e-10 5.0655249e-10 8.150491900000001e-10 ] [ 9.6934309e-10 2.6204509e-10 9.6889299e-10 ] [ 6.882381899999999e-10 8.000291900000001e-10 2.2123029000000002e-10 ] [ 5.9405539e-10 6.087029900000001e-10 1.0211399000000001e-10 ] [ 9.5931139e-10 8.2451529e-10 5.3325970000000005e-11 ] [ 9.867734900000001e-10 1.0372377900000001e-09 1.5539259e-10 ] [ 8.4585299e-10 8.0316569e-10 4.1514419000000003e-10 ] [ 1.01745679e-09 6.4369959e-10 4.5000178999999996e-10 ] [ 6.007725899999999e-10 1.0211657900000002e-09 4.6310879e-10 ] [ 9.588729900000001e-10 1.0103227900000001e-09 3.9073309e-10 ] [ 7.4508319e-10 7.9396439e-10 6.341741899999999e-10 ] [ 6.0588419e-10 6.029353899999999e-10 6.3519169e-10 ] [ 9.6526909e-10 1.0042787900000002e-09 7.6863469e-10 ] [ 6.5196909e-10 6.849409899999999e-10 9.5026229e-10 ] [ 8.964246899999999e-10 6.5524669e-10 7.502000899999999e-10 ] [ 6.6624579e-10 1.05359779e-09 8.704128899999999e-10 ] [ 8.109077899999999e-10 8.4994099e-10 8.691773899999999e-10 ] ] "source-value" [ [ 1.7542769 2.4791759 0.9091595 ] [ 1.4170189 0.3159447 1.8096709 ] [ 4.637050899999999 1.1737229 0.4427883 ] [ 0.1768713 5.1806699 1.6359419 ] [ 3.8985859 3.2215599 1.7003379 ] [ 3.7182349 2.2162899 3.9523599 ] [ 1.4530869 5.4878689 3.7271719 ] [ 0.9606929000000001 3.3551749 2.9297129 ] [ 1.6150159 1.5754369 7.681181899999999 ] [ 2.2624769 1.0350759 5.3957209 ] [ 5.135868899999999 1.0156739 7.301422899999999 ] [ 1.4923839 4.4727349 5.9776039 ] [ 3.8875579 3.8163769 5.674673899999999 ] [ 0.1342108 0.5929366 9.2349019 ] [ 3.4984299 1.0841119 8.9823409 ] [ 0.6907213 4.0830419 10.2385479 ] [ 2.0520449 3.8455319 8.2828479 ] [ 4.6828219 4.4340319 10.4825379 ] [ 0.9295569 7.4237269 1.2843589 ] [ 3.6006619 6.271067899999999 0.7400148000000001 ] [ 4.7847439 9.0760529 1.9185829 ] [ 4.4913339 5.8148199 4.5452299 ] [ 5.282486899999999 8.019851899999999 3.9931939 ] [ 1.2571569 10.1381679 3.9813359 ] [ 3.0119159 8.6241039 4.415588899999999 ] [ 0.4371623 6.5948439 6.6398939 ] [ 4.740986899999999 7.0455919 7.986904899999999 ] [ 0.8964767 8.8094369 7.3769959 ] [ 3.9853059 10.2274179 5.8755739 ] [ 0.3658932 7.2758629 9.7639099 ] [ 3.2032399 5.7535449 9.1881629 ] [ 1.4004219 9.3469119 9.6011579 ] [ 5.3170449 9.6370599 10.4077879 ] [ 3.5791779 9.4941499 8.9132929 ] [ 7.725482899999999 0.6333289000000001 1.0530529 ] [ 5.813558899999999 0.4211362 2.4437889 ] [ 8.098102899999999 2.9638259 0.6537495 ] [ 8.6915829 4.6468829 2.3111309 ] [ 9.5139179 2.7765229 3.4561659 ] [ 5.8625569 2.9518139 4.558106899999999 ] [ 5.5698789 4.5707739 2.8607829 ] [ 8.712784899999999 4.6090259 4.718842899999999 ] [ 6.9378509 1.2774269 5.832932899999999 ] [ 9.2531369 0.7382356 5.853990899999999 ] [ 8.8873599 3.4446319 7.6610119 ] [ 10.2210279 3.0019129 5.7462969 ] [ 6.5917359 1.8088679 10.0055579 ] [ 7.248255899999999 5.0655249 8.1504919 ] [ 9.6934309 2.6204509 9.6889299 ] [ 6.882381899999999 8.0002919 2.2123029 ] [ 5.940553899999999 6.0870299 1.0211399 ] [ 9.5931139 8.245152899999999 0.5332597 ] [ 9.8677349 10.3723779 1.5539259 ] [ 8.4585299 8.0316569 4.1514419 ] [ 10.1745679 6.436995899999999 4.5000179 ] [ 6.0077259 10.2116579 4.6310879 ] [ 9.5887299 10.1032279 3.9073309 ] [ 7.4508319 7.9396439 6.3417419 ] [ 6.0588419 6.029353899999999 6.3519169 ] [ 9.6526909 10.0427879 7.686346899999999 ] [ 6.5196909 6.849409899999999 9.5026229 ] [ 8.9642469 6.5524669 7.5020009 ] [ 6.6624579 10.5359779 8.704128899999999 ] [ 8.109077899999999 8.4994099 8.6917739 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.057923570914559e-17 "source-value" -253.27567 } }