{ "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" [ 10.6945724 0 0 ] "si-unit" "m" "si-value" [ 1.06945724e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6945724 0 ] "si-unit" "m" "si-value" [ 0.0 1.06945724e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6945724 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06945724e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 4.37986716151 0.8229497 1.2200584 ] [ 0.871090633327 3.3472754 2.5123054 ] [ 1.36400381061 2.8929394 0.2635441 ] [ 4.242087945570001 5.1532134 0.5688467 ] [ 4.583748451110001 3.1138344 1.7270944 ] [ 2.6803857892 1.0081904 4.456076400000001 ] [ 2.9886468741 3.1200254 3.4817754 ] [ 4.858544381460001 1.2919524 5.3526194 ] [ 0.649987652767 3.4900974 7.384421400000001 ] [ 1.94984489484 4.009623400000001 5.4453914 ] [ 3.89640567625 3.9568204 6.791961400000001 ] [ 2.96513119472 1.3005314 10.0992224 ] [ 3.06141782377 0.1844851 8.072203400000001 ] [ 2.08569294755 5.0395424 10.2774924 ] [ 3.99064089059 2.8985104 8.853548400000001 ] [ 0.860142434207 6.2864174 1.2173184 ] [ 4.53696399989 7.182718400000001 1.7461654 ] [ 0.99493313615 8.548064400000001 0.3039335 ] [ 1.26162146062 10.5213224 1.5264784 ] [ 1.58240244853 6.3016234 5.035657400000001 ] [ 4.592299440040001 6.230743400000001 3.9663784 ] [ 1.83255629721 9.458881400000001 4.748924400000001 ] [ 5.15348595726 8.3626124 4.906501400000001 ] [ 3.1465402768 10.1169824 2.7894934 ] [ 0.252561697193 6.8495964 6.9865224 ] [ 4.300179415000001 6.1296074 7.5720454 ] [ 0.426356285132 9.049028400000001 7.906697400000001 ] [ 0.214191176268 10.5545924 6.1345074 ] [ 4.76337551677 10.0354324 6.6275944 ] [ 0.230012496264 5.3231374 8.8051984 ] [ 2.45043671893 8.810713400000001 9.1103944 ] [ 4.42199699156 8.1673304 10.2665024 ] [ 6.81151044107 3.5113464 2.3926344 ] [ 9.199742877490001 3.0760704 2.2442454 ] [ 6.692700069800001 1.7513584 3.9186074 ] [ 10.4327062342 1.4580904 3.4213294 ] [ 6.413635072040001 2.0192744 7.0626344 ] [ 9.800853335400001 1.7241974 7.0643364 ] [ 8.20257562462 2.5669464 5.5673694 ] [ 7.53344567698 4.174795400000001 7.163098400000001 ] [ 5.78637312828 5.0371934 5.7692174 ] [ 10.3731160862 4.913941400000001 5.5997374 ] [ 7.6207506582 1.8982364 10.4419024 ] [ 8.691019306780001 0.610769 8.8081944 ] [ 6.302446536340001 3.3145944 9.0810904 ] [ 9.70472822426 3.0182724 10.6504224 ] [ 6.865841880820001 7.287835400000001 1.9961204 ] [ 6.49769660193 10.6992224 0.5676766 ] [ 9.78118294553 10.2925124 2.1933554 ] [ 6.83373813049 5.532843400000001 3.5908464 ] [ 10.535090902 6.2378124 3.4511934 ] [ 7.26016184743 8.6703154 3.9140054 ] [ 7.4990753971 10.6198724 2.6938484 ] [ 10.5521250899 8.6104514 3.6633014 ] [ 6.19023623027 7.202099400000001 6.653628400000001 ] [ 8.592656121940001 7.2823234 6.7826024 ] [ 6.97685771248 10.4330324 7.414711400000001 ] [ 9.07984220812 9.1630284 5.4088424 ] [ 7.53280828973 6.3452744 10.6057924 ] [ 5.647349866460001 5.5484464 9.4304624 ] [ 8.16766046124 7.962225400000001 9.049068400000001 ] [ 9.66144701202 5.366831400000001 10.7906224 ] [ 6.258374784570001 9.3208374 9.3593854 ] [ 9.801871172290001 9.4376324 9.803732400000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.37986716151e-10 8.229497000000001e-11 1.2200584e-10 ] [ 8.71090633327e-11 3.3472754e-10 2.5123054e-10 ] [ 1.3640038106100002e-10 2.8929394e-10 2.635441e-11 ] [ 4.242087945570001e-10 5.1532134e-10 5.688467000000001e-11 ] [ 4.583748451110001e-10 3.1138344000000004e-10 1.7270944e-10 ] [ 2.6803857892e-10 1.0081904e-10 4.4560764000000006e-10 ] [ 2.9886468741e-10 3.1200254e-10 3.4817754000000003e-10 ] [ 4.85854438146e-10 1.2919524e-10 5.3526194e-10 ] [ 6.49987652767e-11 3.4900974e-10 7.384421400000001e-10 ] [ 1.94984489484e-10 4.0096234000000006e-10 5.445391400000001e-10 ] [ 3.89640567625e-10 3.9568204e-10 6.791961400000001e-10 ] [ 2.96513119472e-10 1.3005313999999998e-10 1.00992224e-09 ] [ 3.0614178237699997e-10 1.844851e-11 8.072203400000001e-10 ] [ 2.08569294755e-10 5.039542400000001e-10 1.02774924e-09 ] [ 3.99064089059e-10 2.8985104e-10 8.853548400000001e-10 ] [ 8.60142434207e-11 6.2864174e-10 1.2173184e-10 ] [ 4.5369639998900003e-10 7.182718400000001e-10 1.7461654e-10 ] [ 9.9493313615e-11 8.548064400000001e-10 3.0393350000000006e-11 ] [ 1.26162146062e-10 1.05213224e-09 1.5264784e-10 ] [ 1.58240244853e-10 6.301623400000001e-10 5.035657400000001e-10 ] [ 4.592299440040001e-10 6.230743400000001e-10 3.9663784000000003e-10 ] [ 1.83255629721e-10 9.458881400000001e-10 4.748924400000001e-10 ] [ 5.15348595726e-10 8.3626124e-10 4.906501400000001e-10 ] [ 3.1465402768000003e-10 1.01169824e-09 2.7894934e-10 ] [ 2.52561697193e-11 6.8495964e-10 6.9865224e-10 ] [ 4.3001794150000007e-10 6.1296074e-10 7.572045400000001e-10 ] [ 4.263562851320001e-11 9.049028400000001e-10 7.906697400000002e-10 ] [ 2.14191176268e-11 1.0554592400000001e-09 6.134507400000001e-10 ] [ 4.76337551677e-10 1.00354324e-09 6.627594400000001e-10 ] [ 2.30012496264e-11 5.3231374e-10 8.805198400000001e-10 ] [ 2.45043671893e-10 8.810713400000001e-10 9.110394400000001e-10 ] [ 4.4219969915600006e-10 8.167330400000001e-10 1.02665024e-09 ] [ 6.811510441070001e-10 3.5113464e-10 2.3926344e-10 ] [ 9.199742877490002e-10 3.0760704e-10 2.2442454000000002e-10 ] [ 6.692700069800001e-10 1.7513584e-10 3.9186074e-10 ] [ 1.0432706234199999e-09 1.4580904e-10 3.4213294e-10 ] [ 6.413635072040001e-10 2.0192744000000002e-10 7.0626344e-10 ] [ 9.800853335400002e-10 1.7241974000000002e-10 7.064336400000001e-10 ] [ 8.20257562462e-10 2.5669464e-10 5.5673694e-10 ] [ 7.53344567698e-10 4.174795400000001e-10 7.163098400000001e-10 ] [ 5.78637312828e-10 5.0371934e-10 5.7692174e-10 ] [ 1.03731160862e-09 4.9139414e-10 5.599737400000001e-10 ] [ 7.6207506582e-10 1.8982364e-10 1.0441902400000001e-09 ] [ 8.691019306780002e-10 6.10769e-11 8.8081944e-10 ] [ 6.302446536340001e-10 3.3145944e-10 9.081090400000001e-10 ] [ 9.70472822426e-10 3.0182724e-10 1.0650422400000001e-09 ] [ 6.865841880820001e-10 7.287835400000002e-10 1.9961204e-10 ] [ 6.497696601930001e-10 1.06992224e-09 5.676766e-11 ] [ 9.781182945530002e-10 1.02925124e-09 2.1933554000000003e-10 ] [ 6.833738130489999e-10 5.532843400000001e-10 3.5908464000000006e-10 ] [ 1.0535090902000002e-09 6.2378124e-10 3.4511934000000005e-10 ] [ 7.260161847430001e-10 8.6703154e-10 3.9140054000000004e-10 ] [ 7.4990753971e-10 1.06198724e-09 2.6938484e-10 ] [ 1.05521250899e-09 8.610451400000001e-10 3.6633014e-10 ] [ 6.19023623027e-10 7.202099400000001e-10 6.653628400000002e-10 ] [ 8.592656121940002e-10 7.282323400000001e-10 6.7826024e-10 ] [ 6.97685771248e-10 1.04330324e-09 7.414711400000001e-10 ] [ 9.079842208120001e-10 9.163028400000001e-10 5.408842400000001e-10 ] [ 7.53280828973e-10 6.345274400000001e-10 1.06057924e-09 ] [ 5.647349866460001e-10 5.5484464e-10 9.4304624e-10 ] [ 8.167660461240001e-10 7.962225400000001e-10 9.049068400000001e-10 ] [ 9.661447012020001e-10 5.366831400000001e-10 1.07906224e-09 ] [ 6.258374784570001e-10 9.3208374e-10 9.3593854e-10 ] [ 9.80187117229e-10 9.4376324e-10 9.803732400000002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0433778 0.0749376 -0.8992988 ] [ 4.8551281 2.5902421 0.586868 ] [ 0.5868603 -0.6057559 -0.2595269 ] [ -0.3492153 -1.0975479 -0.2924814 ] [ 0.2552651 0.5437938 0.3160331 ] [ 0.9127906 2.4060628 0.5352062 ] [ -0.6768411 0.33074 -0.8392362 ] [ -1.1931467 0.6861307 -0.5702426 ] [ -0.6160908 -3.1482212 2.8616359 ] [ 5.4067321 -1.1691799 0.6023081 ] [ -2.5962708 -1.856993 -1.3491832 ] [ -0.768224 -0.6023453 1.778987 ] [ -1.1731339 -2.0933637 -1.1921121 ] [ 3.3829574 -1.1304907 -0.126618 ] [ -0.7045707 1.4475603 0.6504681 ] [ -0.0665953 1.2998787 1.2726401 ] [ -0.8540992 0.621005 -0.4447811 ] [ 1.3285585 -0.9261116 1.3940793 ] [ 2.7479086 0.4084772 -3.3278566 ] [ 7.2891073 3.697376 -1.4746746 ] [ -6.5894769 0.1831453 -0.44048 ] [ -0.6063306 -3.7786032 1.9132204 ] [ -0.22908 0.9390985 -0.4539029 ] [ 1.8606375 -0.974092 -2.6399252 ] [ -0.1497877 2.3311173 3.6860076 ] [ -3.2827725 2.7454657 4.3760587 ] [ 0.8843017 0.330753 -1.2666541 ] [ -0.2161502 1.9366598 2.3600382 ] [ -1.9850559 -0.9822962 -0.8871338 ] [ 0.7275864 0.8543282 -1.6579467 ] [ 0.8546505 -0.2691835 0.1614921 ] [ -0.0256894 1.0756867 -1.623362 ] [ -0.6244042 0.4270534 0.7579531 ] [ -2.8955959 0.8751046 -0.1513006 ] [ 0.3337492 -0.9433117 -2.1531091 ] [ -0.6891024 -1.4350433 4.1329576 ] [ -1.7748801 -2.9321593 1.134787 ] [ 1.2754699 -0.3551344 -0.1555539 ] [ 3.3737241 -0.2549712 -2.339435 ] [ 3.0511156 5.5345313 -1.1080305 ] [ 3.548752 -3.115503 -0.3495694 ] [ -9.4707044 -4.0401459 -1.1568788 ] [ -1.1936006 0.1258582 -0.8962809 ] [ 2.8782775 1.0060672 0.3177361 ] [ -0.0636097 -0.5580383 3.754442 ] [ -1.3540055 -0.4893463 -1.1569317 ] [ 1.5943262 0.5543005 -1.7740669 ] [ -0.73027 0.5536932 0.8076188 ] [ -1.8728533 -0.3039144 0.3937739 ] [ 3.0113368 -2.6040534 -1.9296724 ] [ -0.9550592 0.8281312 -3.6629811 ] [ -0.755873 2.3614833 -0.8498926 ] [ -0.6960346 -0.4702793 -0.1097755 ] [ -1.1451948 -1.0482624 -1.2053291 ] [ 0.8791148 1.8591178 0.7633365 ] [ -0.5811959 -0.0348899 0.0528532 ] [ 1.1225432 -0.4732681 -1.0567757 ] [ -2.2937642 -0.309964 -0.042369 ] [ 0.9550013 0.7814204 -0.3284248 ] [ 0.1852032 0.8048335 2.2498783 ] [ 0.29059 -1.248479 2.0527834 ] [ -3.5871026 0.7868533 -0.187764 ] [ -0.7079301 -1.5484599 1.5934768 ] [ -1.1613543 -0.2014987 -0.1470826 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6716755178217384e-09 1.2006327073886208e-10 -1.440835512473495e-09 ] [ 7.778772732809125e-09 4.150025334831896e-09 9.402661890956543e-10 ] [ 9.402538523356742e-10 -9.705279408916627e-10 -4.1580793164869955e-10 ] [ -5.595045892856583e-10 -1.7584655855881363e-09 -4.686068610988532e-10 ] [ 4.089797753261741e-10 8.71253712895991e-10 5.063408442189485e-10 ] [ 1.4624517590060046e-09 3.854937566336587e-09 8.574948609472089e-10 ] [ -1.0844189864165549e-09 5.29903895563392e-10 -1.3446046189690329e-09 ] [ -1.9116317479246713e-09 1.0993025663531385e-09 -9.136293619042062e-10 ] [ -9.870862760499687e-10 -5.044006403746921e-09 4.584846136221967e-09 ] [ 8.662539765548889e-09 -1.873232701289282e-09 9.650039563384686e-10 ] [ -4.159684377025713e-09 -2.975230769589254e-09 -2.1616297802161307e-09 ] [ -1.2308305323374592e-09 -9.650635573087622e-10 2.85025138010713e-09 ] [ -1.8795677076479255e-09 -3.3539383789713847e-09 -1.9099741359927918e-09 ] [ 5.420095255442354e-09 -1.8112457695718266e-09 -2.0286439937245443e-10 ] [ -1.1288467032406906e-09 2.3192472698582343e-09 1.0421647823961965e-09 ] [ -1.0669743271516223e-10 2.082635263015897e-09 2.038994214912574e-09 ] [ -1.3684177700839833e-09 9.94959692399904e-10 -7.126178797937069e-10 ] [ 2.128585368065117e-09 -1.4837943537716814e-09 2.2335612620012296e-09 ] [ 4.40263491501526e-09 6.544526199698458e-10 -5.331814041894978e-09 ] [ 1.1678437302562613e-08 5.923849385507021e-09 -2.3626891674075916e-09 ] [ -1.055750583248166e-08 2.9343111786940227e-10 -7.05726757929984e-10 ] [ -9.714487117956367e-10 -6.053989706320067e-09 3.0653169953176244e-09 ] [ -3.6702662029286403e-10 1.5046016613283488e-09 -7.272326144933204e-10 ] [ 2.98106990228376e-09 -1.5606674289083136e-09 -4.229626436100764e-09 ] [ -2.399863510234042e-10 3.73486163840242e-09 5.905635200811118e-09 ] [ -5.259581350905168e-09 4.3987209577483064e-09 7.011218940388441e-09 ] [ 1.4168075094736954e-09 5.299247238594624e-10 -2.0294035856604654e-09 ] [ -3.4631079702124415e-10 3.102871054003204e-09 3.781198028234915e-09 ] [ -3.180410153961103e-09 -1.573812006340681e-09 -1.421345033881463e-09 ] [ 1.1657219196920372e-09 1.3687846685301466e-09 -2.6563234412725117e-09 ] [ 1.3693010500550304e-09 -4.3127951040511685e-10 2.587388670638957e-10 ] [ -4.1158956082379526e-11 1.7234400820455036e-09 -2.6009126434951297e-09 ] [ -1.0004058111693273e-09 6.842149733131508e-10 1.2143747364828845e-09 ] [ -4.639256054264335e-09 1.4020721308745357e-09 -2.424102840330125e-10 ] [ 5.347251654507035e-10 -1.5113519518671034e-09 -3.4496610620517293e-09 ] [ -1.10406375461717e-09 -2.2991928250956807e-09 6.621728041477679e-09 ] [ -2.8436714009431662e-09 -4.697837078921293e-09 1.8181292009877696e-09 ] [ 2.0435280543141142e-09 -5.689880329218355e-10 -2.492248218542611e-10 ] [ 5.405301878049521e-09 -4.0850889561732097e-10 -3.748188062881248e-09 ] [ 4.888426081678165e-09 8.867296655945832e-09 -1.7752605622333342e-09 ] [ 5.685727487417242e-09 -4.991586068632263e-09 -5.600719200270835e-10 ] [ -1.5173741172187694e-08 -6.473027305600975e-09 -1.8535241664591593e-09 ] [ -1.9123589758928524e-09 2.0164706557597057e-10 -1.4360003036495828e-09 ] [ 4.611508918674672e-09 1.6118973467937176e-09 5.09069351004171e-10 ] [ -1.0191397419610177e-10 -8.940759177709767e-10 6.015279196549594e-09 ] [ -2.1693559565346143e-09 -7.840192013349831e-10 -1.8536089216023993e-09 ] [ 2.554392163568905e-09 8.880873019977504e-10 -2.8423685109151316e-09 ] [ -1.170021520871616e-09 8.871143001359386e-10 1.293947959878551e-09 ] [ -3.000641771448129e-09 -4.869245464044595e-10 6.308953364612372e-10 ] [ 4.8246934183146854e-09 -4.172153476794751e-09 -3.0916760050830263e-09 ] [ -1.5301735217199513e-09 1.326812447595049e-09 -5.868742680852267e-09 ] [ -1.2110420488939584e-09 3.783513333669633e-09 -1.361678053910926e-09 ] [ -1.1151703633878796e-09 -7.534704997061895e-10 -1.758797396366304e-10 ] [ -1.834804334821732e-09 -1.679501509743698e-09 -1.9311501043899053e-09 ] [ 1.408497179559268e-09 2.9786350744731303e-09 1.2229998941032993e-09 ] [ -9.311784830848147e-10 -5.5899782082049925e-11 8.468016137446657e-11 ] [ 1.7985124708780186e-09 -7.582590851904365e-10 -1.6931413199695547e-09 ] [ -3.6750153748680156e-09 -4.966170740896512e-10 -6.78826212466752e-11 ] [ 1.5300807556936072e-09 1.2519734958961844e-09 -5.261945362509159e-10 ] [ 2.9672823713734657e-10 1.2894854173366368e-09 3.604702411905249e-09 ] [ 4.65576504238272e-10 -2.000283865359763e-09 3.288921571046335e-09 ] [ -5.747171922130894e-09 1.2606779612593286e-09 -3.008310910278912e-10 ] [ -1.1342290553806062e-09 -2.480906250026306e-09 2.5530312747471973e-09 ] [ -1.8606947079255495e-09 -3.2283650626159295e-10 -2.356523030464781e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -120.90246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.937070948092072e-17 } }