{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07144e-09 0.0 0.0 ] "source-value" [ 10.7144 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.09399e-10 9.66634e-10 0.0 ] "source-value" [ -5.09399 9.66634 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.84924e-12 -6.11089e-12 1.07553e-09 ] "source-value" [ -0.0584924 -0.0611089 10.7553 ] } "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" [ [ -5.925899050058011e-09 7.976907346579316e-10 -5.651671621165517e-10 ] [ -5.039214133256447e-09 3.262722138072365e-09 3.545523935586394e-10 ] [ -3.480113472865613e-10 -4.29321169921513e-09 -3.044854315952091e-09 ] [ 7.995737728403578e-10 2.6991621193241376e-09 2.5570128438675478e-09 ] [ 4.788227237554629e-09 -8.212807826784355e-09 -2.7305003735916615e-09 ] [ 4.329156531702778e-10 -1.0888793179547325e-08 -1.2465727187251295e-09 ] [ -1.2064545686191543e-08 9.716746186991693e-10 1.0240798933535924e-09 ] [ 2.6251599844743173e-10 -6.7985615568566716e-09 3.888041098804907e-09 ] [ -1.4813935561924773e-08 1.4758744422562102e-08 -9.424536087925004e-09 ] [ -6.906085712708166e-09 -7.683928523169965e-10 5.056033623203942e-10 ] [ 5.609901274484641e-10 1.76655994209408e-11 -1.756416561907795e-09 ] [ -1.38735908661747e-08 6.504021892983337e-09 1.2443190490250137e-08 ] [ -5.769047561058311e-09 -7.781163500762683e-09 -8.148614377424734e-09 ] [ -6.79606424415783e-09 -5.827225798512801e-09 -1.759974515529606e-09 ] [ -1.3552302543181785e-09 2.5451083511396795e-09 1.152738040574736e-09 ] [ -9.008029767487298e-11 -8.398092984055731e-09 7.705395286623754e-09 ] [ 4.2964014726494805e-09 -7.516339246457664e-10 -2.6241259396832525e-09 ] [ -3.1000278313719326e-09 -5.843392882140307e-09 5.029600272443336e-09 ] [ 4.5553923620958284e-09 -9.108247517294956e-10 1.7154735792338995e-09 ] [ -7.995273738054194e-09 -2.286876252540943e-09 -3.947488260143071e-09 ] [ 9.000377771946356e-10 1.1604317728166485e-08 2.726731573526554e-10 ] [ -2.306653520748098e-09 -1.3102964098995321e-09 -2.8000218613037533e-09 ] [ 7.771172968226022e-09 -7.727781058587234e-09 4.542842031972116e-10 ] [ 1.5257704199306687e-10 -1.8431170680010907e-09 2.464987023122037e-09 ] [ 6.42760671992493e-09 4.082521147703054e-09 -2.2348912288141553e-09 ] [ 4.217786991743701e-09 5.000173254666764e-09 -1.6364921998819564e-09 ] [ -1.6960909271284474e-09 1.3557065814275424e-09 -2.1443323609826498e-10 ] [ 2.498826755747616e-09 4.401239579396204e-09 7.294614023905153e-11 ] [ -4.8456883407536485e-09 -1.0255450358080154e-08 3.512339653416384e-09 ] [ 4.81084884991669e-09 7.833183612157466e-09 -5.392169797594796e-09 ] [ 2.770453531549227e-09 2.0400034259660162e-11 -1.8677614283469121e-10 ] [ -2.029048703538958e-09 -1.9609199879633283e-09 2.6942275755497357e-09 ] [ 1.0399556051408403e-08 9.688488597930643e-10 7.667313951612269e-10 ] [ 3.159179391123558e-09 2.7010403509767015e-09 -6.076443731007593e-09 ] [ -4.968930810561165e-09 -9.360819446327732e-10 4.8143050653230805e-09 ] [ 1.141260063285091e-08 -8.538146612492314e-10 1.2737256070061378e-10 ] [ -7.537927294681648e-09 -1.6760300736594106e-09 2.0766141230572687e-09 ] [ -3.921780054521038e-09 6.020697757881139e-09 -4.998486643338048e-11 ] [ 4.927923580604774e-10 -6.240945773589274e-10 -1.3794683026729652e-09 ] [ 2.7263037923688e-09 7.380668372167279e-09 -6.25780067164009e-10 ] [ 5.3922749003811205e-09 -1.3755784261206235e-08 -6.1752818465270826e-09 ] [ 6.097765497477199e-09 -5.082052971525734e-10 -7.1192718145248e-10 ] [ 7.714092862627428e-09 4.8347042984944295e-09 2.920885579482367e-09 ] [ -2.1783335930116053e-09 5.330821493478392e-09 5.112245509291724e-09 ] [ 2.937458013794936e-09 1.318981969578551e-09 -3.534651565037645e-09 ] [ 1.7268801154680233e-09 -8.377634149914086e-10 3.353510117160645e-09 ] [ -3.3462564227276355e-10 1.1790901609806681e-09 -3.5652004268841005e-09 ] [ 3.574715273182046e-09 -4.174542482354026e-09 2.827579299181513e-09 ] [ -9.566516333748097e-09 4.365851823719608e-09 6.808591983591189e-09 ] [ 1.0067712588837657e-09 -1.7222547917814356e-09 -8.297271213662028e-09 ] [ -8.605034282057473e-11 5.97265024341763e-09 6.074970048951781e-09 ] [ -1.2787285637222478e-09 5.602319454279691e-09 -2.608523463096916e-09 ] [ 2.4971516800905695e-09 7.2016993155704225e-09 -6.609584183562662e-10 ] [ 6.475899046976097e-09 -1.3400821550215009e-09 -1.622222093373477e-09 ] [ -2.7964957909966965e-09 -1.3388058611253716e-09 3.5907710055344065e-09 ] [ -2.8473008116422645e-09 -2.222802005121909e-09 3.9394318752230405e-12 ] [ 1.0460468243048626e-08 -7.074428813520554e-09 8.099155024922975e-10 ] [ -8.380412324174553e-10 7.319448562615863e-09 8.815161348052014e-10 ] [ 2.1265914592605313e-10 6.100835428100314e-10 -8.519713570470009e-09 ] [ 1.3283833817717434e-09 7.637840310496033e-09 3.904633239889913e-09 ] [ -4.390023862397618e-09 4.674158670860152e-09 4.556934296875686e-09 ] [ 2.9323672578000057e-09 -1.492138810048132e-09 -1.1470618332207996e-08 ] [ 6.108607586887814e-10 -4.910811052553334e-09 1.5317292672622806e-08 ] [ 9.295735186766946e-09 -9.647054708340136e-09 -6.783873602685487e-09 ] ] "source-value" [ [ -3.6986553 0.4978794 -0.3527496 ] [ -3.1452301 2.036431 0.2212942 ] [ -0.2172116 -2.679612 -1.9004486 ] [ 0.4990547 1.6846845 1.5959619 ] [ 2.9885764 -5.1260315 -1.7042443 ] [ 0.2702047 -6.7962502 -0.7780495 ] [ -7.5300972 0.6064716 0.6391804 ] [ 0.1638496 -4.2433284 2.4267244 ] [ -9.2461314 9.2116838 -5.8823328 ] [ -4.3104397 -0.4795931 0.3155728 ] [ 0.3501425 0.011026 -1.096269 ] [ -8.6592144 4.0594912 7.7664287 ] [ -3.6007563 -4.8566203 -5.0859651 ] [ -4.2417697 -3.6370683 -1.0984897 ] [ -0.8458682 1.5885317 0.7194825 ] [ -0.05622370000000001 -5.2416774 4.8093295 ] [ 2.6816029 -0.469133 -1.6378506 ] [ -1.9348852 -3.647159 3.1392296 ] [ 2.8432523 -0.5684921 1.0707144 ] [ -4.9902574 -1.4273559 -2.4638284 ] [ 0.5617594 7.2428455 0.1701892 ] [ -1.4396999 -0.8178227 -1.7476362 ] [ 4.8503847 -4.8233016 0.2835419 ] [ 0.0952311 -1.1503832 1.5385239 ] [ 4.0117966 2.5481093 -1.3949094 ] [ 2.6325356 3.1208627 -1.0214181 ] [ -1.0586167 0.8461655 -0.1338387 ] [ 1.559645 2.7470377 0.0455294 ] [ -3.0244408 -6.4009487 2.19223 ] [ 3.0026957 4.8890887 -3.3655277 ] [ 1.7291811 0.0127327 -0.1165765 ] [ -1.2664326 -1.22391 1.6816046 ] [ 6.4908924 0.6047079 0.4785561 ] [ 1.9718047 1.6858568 -3.7926179 ] [ -3.1013627 -0.5842564 3.0048529 ] [ 7.1231851 -0.5329092 0.0794997 ] [ -4.7048042 -1.0460957 1.2961206 ] [ -2.4477826 3.757824 -0.0311981 ] [ 0.3075768 -0.3895292 -0.8609964 ] [ 1.701625 4.6066509 -0.3905812 ] [ 3.3655933 -8.5856853 -3.8543078 ] [ 3.8059259 -0.3171968 -0.44435 ] [ 4.8147581 3.0175851 1.8230734 ] [ -1.3596089 3.3272371 3.1908127 ] [ 1.8334171 0.8232438 -2.206156 ] [ 1.0778338 -0.5228908 2.0930964 ] [ -0.2088569 0.7359302 -2.2252231 ] [ 2.2311618 -2.6055445 1.7648362 ] [ -5.9709499 2.7249504 4.2495889 ] [ 0.6283772 -1.0749469 -5.1787494 ] [ -0.0537084 3.7278351 3.7916981 ] [ -0.7981196 3.4966928 -1.6281123 ] [ 1.5585995 4.4949472 -0.4125378 ] [ 4.0419383 -0.8364135 -1.0125114 ] [ -1.7454354 -0.8356169 2.241183 ] [ -1.7771454 -1.3873639 0.0024588 ] [ 6.5289108 -4.4155112 0.5055095 ] [ -0.5230642 4.5684405 0.5501991 ] [ 0.1327314 0.3807842 -5.317587 ] [ 0.8291117 4.767165 2.4370804 ] [ -2.7400374 2.9173804 2.8442147 ] [ 1.8302397 -0.9313198 -7.1593969 ] [ 0.3812693 -3.0650872 9.5603022 ] [ 5.8019416 -6.021218 -4.2341609 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.38471e-12 2.72297e-12 -1.8026000000000003e-11 ] [ -6.3454e-12 -5.00934e-12 2.8757e-10 ] [ -1.1774300000000001e-11 -1.53794e-11 5.34906e-10 ] [ -3.08272e-11 -9.401090000000001e-13 7.68584e-10 ] [ -1.4608200000000002e-10 2.1732200000000002e-10 1.54735e-11 ] [ -1.43053e-10 2.2519999999999998e-10 2.9372500000000004e-10 ] [ -1.52004e-10 2.12235e-10 5.703909999999999e-10 ] [ -1.38217e-10 2.4539100000000003e-10 7.73711e-10 ] [ -2.32386e-10 4.34974e-10 -3.4135300000000003e-12 ] [ -2.14732e-10 4.59913e-10 2.8545600000000003e-10 ] [ -2.58803e-10 4.49203e-10 5.223980000000001e-10 ] [ -2.53205e-10 4.45019e-10 7.97976e-10 ] [ -3.6333700000000003e-10 7.17929e-10 -4.910280000000001e-12 ] [ -3.89229e-10 6.71793e-10 2.89818e-10 ] [ -3.66413e-10 7.020150000000001e-10 5.09652e-10 ] [ -3.9278800000000003e-10 6.93366e-10 8.0512e-10 ] [ 2.45378e-10 3.0937300000000004e-11 2.91799e-11 ] [ 2.63293e-10 -9.16649e-12 2.38171e-10 ] [ 2.3029600000000001e-10 -2.01703e-11 4.97556e-10 ] [ 2.76192e-10 -2.81406e-11 7.625320000000001e-10 ] [ 1.31779e-10 2.17407e-10 -2.3038500000000002e-11 ] [ 1.52587e-10 2.23453e-10 2.9013300000000004e-10 ] [ 1.2551000000000001e-10 2.1107800000000002e-10 5.57886e-10 ] [ 1.5430800000000002e-10 1.87063e-10 7.884710000000001e-10 ] [ -1.3547500000000002e-11 4.44987e-10 2.53366e-11 ] [ 2.06692e-11 4.4119000000000006e-10 2.48107e-10 ] [ 3.96793e-12 4.80924e-10 5.07207e-10 ] [ -2.30702e-12 4.46471e-10 7.99008e-10 ] [ -1.2234300000000001e-10 6.87043e-10 1.07938e-11 ] [ -1.45159e-10 6.56532e-10 2.67083e-10 ] [ -1.48914e-10 6.71211e-10 5.58461e-10 ] [ -1.3125899999999999e-10 6.653030000000001e-10 7.82887e-10 ] [ 5.36229e-10 -2.01486e-11 7.79356e-12 ] [ 5.08432e-10 1.60103e-11 3.04183e-10 ] [ 5.04314e-10 -4.1979100000000004e-11 4.932530000000001e-10 ] [ 4.97733e-10 -1.2491700000000001e-11 7.93817e-10 ] [ 4.07742e-10 2.3290600000000004e-10 2.5320399999999998e-11 ] [ 3.79674e-10 2.43742e-10 2.78537e-10 ] [ 3.81248e-10 2.52072e-10 5.25869e-10 ] [ 4.0443e-10 1.9150400000000002e-10 8.20099e-10 ] [ 2.79101e-10 4.60985e-10 -3.9135400000000003e-13 ] [ 2.79476e-10 4.4314200000000005e-10 3.20273e-10 ] [ 2.32095e-10 4.60023e-10 5.44999e-10 ] [ 2.43436e-10 4.156e-10 8.024369999999999e-10 ] [ 1.10367e-10 7.032670000000001e-10 4.75772e-11 ] [ 1.4341200000000002e-10 6.61174e-10 2.58351e-10 ] [ 1.56081e-10 6.78949e-10 5.836990000000001e-10 ] [ 1.26983e-10 6.69138e-10 7.946570000000001e-10 ] [ 8.136939999999999e-10 -8.4966e-12 3.2920600000000004e-12 ] [ 7.94829e-10 1.66431e-11 2.8862600000000003e-10 ] [ 8.08334e-10 -1.75614e-11 5.07998e-10 ] [ 8.050710000000001e-10 -4.61084e-12 7.698470000000001e-10 ] [ 6.29462e-10 2.13237e-10 2.27677e-11 ] [ 6.59496e-10 2.1471399999999998e-10 2.68125e-10 ] [ 6.579600000000001e-10 2.22172e-10 4.97661e-10 ] [ 6.61546e-10 2.04155e-10 7.94854e-10 ] [ 5.60831e-10 4.89949e-10 2.7305600000000004e-11 ] [ 5.314260000000001e-10 4.4438500000000006e-10 2.78226e-10 ] [ 5.2365e-10 4.3873600000000005e-10 5.62938e-10 ] [ 5.34171e-10 4.2370000000000005e-10 7.77426e-10 ] [ 3.76471e-10 6.57935e-10 2.97265e-11 ] [ 3.95924e-10 6.9387e-10 3.15334e-10 ] [ 3.93889e-10 6.54727e-10 5.0212e-10 ] [ 3.94816e-10 6.64802e-10 7.824430000000001e-10 ] ] "source-value" [ [ 0.0138471 0.0272297 -0.18026 ] [ -0.063454 -0.0500934 2.8757 ] [ -0.117743 -0.153794 5.34906 ] [ -0.308272 -0.00940109 7.68584 ] [ -1.46082 2.17322 0.154735 ] [ -1.43053 2.252 2.93725 ] [ -1.52004 2.12235 5.70391 ] [ -1.38217 2.45391 7.73711 ] [ -2.32386 4.34974 -0.0341353 ] [ -2.14732 4.59913 2.85456 ] [ -2.58803 4.49203 5.22398 ] [ -2.53205 4.45019 7.97976 ] [ -3.63337 7.17929 -0.0491028 ] [ -3.89229 6.71793 2.89818 ] [ -3.66413 7.02015 5.09652 ] [ -3.92788 6.93366 8.0512 ] [ 2.45378 0.309373 0.291799 ] [ 2.63293 -0.0916649 2.38171 ] [ 2.30296 -0.201703 4.97556 ] [ 2.76192 -0.281406 7.62532 ] [ 1.31779 2.17407 -0.230385 ] [ 1.52587 2.23453 2.90133 ] [ 1.2551 2.11078 5.57886 ] [ 1.54308 1.87063 7.88471 ] [ -0.135475 4.44987 0.253366 ] [ 0.206692 4.4119 2.48107 ] [ 0.0396793 4.80924 5.07207 ] [ -0.0230702 4.46471 7.99008 ] [ -1.22343 6.87043 0.107938 ] [ -1.45159 6.56532 2.67083 ] [ -1.48914 6.71211 5.58461 ] [ -1.31259 6.65303 7.82887 ] [ 5.36229 -0.201486 0.0779356 ] [ 5.08432 0.160103 3.04183 ] [ 5.04314 -0.419791 4.93253 ] [ 4.97733 -0.124917 7.93817 ] [ 4.07742 2.32906 0.253204 ] [ 3.79674 2.43742 2.78537 ] [ 3.81248 2.52072 5.25869 ] [ 4.0443 1.91504 8.20099 ] [ 2.79101 4.60985 -0.00391354 ] [ 2.79476 4.43142 3.20273 ] [ 2.32095 4.60023 5.44999 ] [ 2.43436 4.156 8.02437 ] [ 1.10367 7.03267 0.475772 ] [ 1.43412 6.61174 2.58351 ] [ 1.56081 6.78949 5.83699 ] [ 1.26983 6.69138 7.94657 ] [ 8.13694 -0.084966 0.0329206 ] [ 7.94829 0.166431 2.88626 ] [ 8.08334 -0.175614 5.07998 ] [ 8.05071 -0.0461084 7.69847 ] [ 6.29462 2.13237 0.227677 ] [ 6.59496 2.14714 2.68125 ] [ 6.5796 2.22172 4.97661 ] [ 6.61546 2.04155 7.94854 ] [ 5.60831 4.89949 0.273056 ] [ 5.31426 4.44385 2.78226 ] [ 5.2365 4.38736 5.62938 ] [ 5.34171 4.237 7.77426 ] [ 3.76471 6.57935 0.297265 ] [ 3.95924 6.9387 3.15334 ] [ 3.93889 6.54727 5.0212 ] [ 3.94816 6.64802 7.82443 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.712838919661213e-17 "source-value" -231.73718 } }