{ "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" [ 10.8883 0 0 ] "si-unit" "m" "si-value" [ 1.08883e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.08893 9.25118 0 ] "si-unit" "m" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.000292429 -0.0106915 10.0599 ] "si-unit" "m" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ -0.0447334 -0.306647 7.45196 ] [ -1.26306 2.30575 0.363968 ] [ -1.39208 2.33654 2.5263 ] [ -1.17537 2.25364 4.90735 ] [ -1.46062 2.40803 7.6638 ] [ -2.65707 4.84171 -0.172878 ] [ -2.69521 4.91401 2.73911 ] [ -2.71562 4.80584 5.08926 ] [ -2.41811 4.7596 7.57071 ] [ -3.78692 6.96269 -0.124184 ] [ -3.67368 6.79821 2.28555 ] [ -3.63384 6.77872 5.17021 ] [ -3.90874 6.88934 7.63294 ] [ 2.22908 0.0767241 0.0508547 ] [ 2.66227 -0.0303766 2.20661 ] [ 2.68937 -0.14877 5.17388 ] [ 2.69311 0.141266 7.96758 ] [ 1.48301 2.08354 -0.377774 ] [ 1.28213 2.1725 2.62382 ] [ 1.22126 2.22618 5.08282 ] [ 1.21936 2.44469 7.82317 ] [ 0.113886 4.55562 -0.179321 ] [ 0.0810082 4.45019 2.6631 ] [ 0.179801 4.81405 5.52672 ] [ 0.094404 4.56508 7.94684 ] [ -1.18564 6.74928 0.170597 ] [ -1.09246 6.89596 2.51272 ] [ -1.03539 6.71682 5.11403 ] [ -1.20238 6.93517 7.66034 ] [ 5.60211 -0.0612136 0.339346 ] [ 5.09974 -0.103113 2.43936 ] [ 5.14881 -0.0708218 5.59289 ] [ 5.38392 -0.436684 7.94408 ] [ 4.14454 2.22131 0.192156 ] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 ] [ -3.90874e-10 6.889340000000001e-10 7.63294e-10 ] [ 2.2290800000000002e-10 7.672410000000001e-12 5.08547e-12 ] [ 2.66227e-10 -3.0376600000000002e-12 2.20661e-10 ] [ 2.68937e-10 -1.4877e-11 5.17388e-10 ] [ 2.69311e-10 1.4126600000000001e-11 7.96758e-10 ] [ 1.48301e-10 2.0835400000000002e-10 -3.77774e-11 ] [ 1.2821300000000002e-10 2.1725e-10 2.62382e-10 ] [ 1.2212600000000001e-10 2.2261799999999999e-10 5.08282e-10 ] [ 1.21936e-10 2.4446900000000003e-10 7.82317e-10 ] [ 1.13886e-11 4.5556200000000004e-10 -1.79321e-11 ] [ 8.10082e-12 4.45019e-10 2.6631000000000003e-10 ] [ 1.79801e-11 4.814050000000001e-10 5.52672e-10 ] [ 9.4404e-12 4.5650800000000004e-10 7.94684e-10 ] [ -1.18564e-10 6.749279999999999e-10 1.7059700000000002e-11 ] [ -1.09246e-10 6.895959999999999e-10 2.51272e-10 ] [ -1.03539e-10 6.71682e-10 5.114029999999999e-10 ] [ -1.20238e-10 6.935170000000001e-10 7.66034e-10 ] [ 5.60211e-10 -6.1213600000000005e-12 3.39346e-11 ] [ 5.09974e-10 -1.03113e-11 2.43936e-10 ] [ 5.14881e-10 -7.0821800000000004e-12 5.59289e-10 ] [ 5.38392e-10 -4.3668400000000003e-11 7.94408e-10 ] [ 4.1445400000000004e-10 2.22131e-10 1.92156e-11 ] [ 4.3364000000000007e-10 2.2558500000000003e-10 2.6103600000000003e-10 ] [ 4.00854e-10 2.3114900000000002e-10 4.79378e-10 ] [ 4.1570200000000004e-10 2.19838e-10 8.05353e-10 ] [ 2.53922e-10 4.31267e-10 -1.30544e-11 ] [ 2.70029e-10 4.51493e-10 2.3599000000000003e-10 ] [ 2.72561e-10 4.39358e-10 4.81989e-10 ] [ 2.3496700000000004e-10 4.5672600000000005e-10 7.95271e-10 ] [ 1.36939e-10 6.77949e-10 1.3361500000000001e-11 ] [ 1.5139700000000001e-10 6.809179999999999e-10 2.2221099999999998e-10 ] [ 1.61838e-10 7.05731e-10 5.273170000000001e-10 ] [ 1.4023600000000002e-10 6.74712e-10 8.092549999999999e-10 ] [ 7.86412e-10 -1.8199499999999998e-11 -3.1195e-11 ] [ 7.87067e-10 -5.99447e-11 2.54961e-10 ] [ 7.76506e-10 -1.9760799999999998e-12 5.58805e-10 ] [ 7.79642e-10 2.8380400000000003e-12 7.68034e-10 ] [ 6.643110000000001e-10 2.16023e-10 3.5492300000000003e-13 ] [ 6.431e-10 1.9413700000000001e-10 2.84412e-10 ] [ 6.70356e-10 2.0474100000000002e-10 5.1608e-10 ] [ 6.74068e-10 1.76825e-10 7.94802e-10 ] [ 5.37861e-10 4.5050600000000005e-10 -3.841570000000001e-11 ] [ 5.18526e-10 4.8805e-10 2.50278e-10 ] [ 5.358780000000001e-10 4.63189e-10 5.44052e-10 ] [ 5.37541e-10 4.43597e-10 7.87672e-10 ] [ 4.13979e-10 6.76291e-10 -4.35976e-11 ] [ 3.98975e-10 6.69094e-10 2.6118100000000003e-10 ] [ 4.38282e-10 6.87505e-10 5.19986e-10 ] [ 3.92995e-10 7.04105e-10 8.086330000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5995357 0.0585611 -0.3884514 ] [ 1.6494732 1.2470039 0.6338065 ] [ 0.2489136 -0.3332067 -1.1606562 ] [ 0.2656255 -2.1276412 1.44788 ] [ 0.8253387 -0.3630455 -1.6019725 ] [ 1.8388672 -0.7702503 1.1811353 ] [ 1.7149331 -0.6190531 0.5538082 ] [ 0.3862969 0.7073854 -0.3898165 ] [ -0.7354477 -0.0516944 0.0831439 ] [ 1.6251562 -1.0950449 0.6491815 ] [ -0.0766106 -0.3972079 0.1008002 ] [ -0.0979434 -0.0838962 -0.650384 ] [ 0.7152249 0.6608325 1.2316131 ] [ -1.2151413 1.7591145 0.6915002 ] [ -1.6637619 1.7139012 -0.3915009 ] [ 1.0478728 -0.5431823 -1.540213 ] [ 1.7319378 -2.6279988 0.2772845 ] [ -0.7936489 -0.1389533 2.7760286 ] [ -0.7306092 0.4847565 -0.2110869 ] [ -0.0141194 -0.3600584 -3.0478186 ] [ -0.7848203 -0.0520879 11.8281469 ] [ -1.0796446 0.1012782 0.209197 ] [ 0.9084983 0.370837 0.8361818 ] [ -1.6634254 0.3444282 -13.7840081 ] [ -2.829405 -0.9461509 10.7296976 ] [ -0.1600332 0.4265544 0.4821521 ] [ 1.8379694 -1.5164598 -1.7299746 ] [ -3.1623846 0.6229942 -8.1724134 ] [ -0.825889 -0.9253717 -1.6527787 ] [ -0.2571158 -0.7009203 1.4995952 ] [ -0.40019 2.1921851 -0.4198723 ] [ -0.9494233 -0.5282828 0.1688404 ] [ -0.3100932 1.1602424 -2.9486104 ] [ 0.5039611 -0.0378085 3.2959128 ] [ 1.1024386 -0.0347752 -0.7148845 ] [ -1.6209344 1.3830249 0.2177062 ] [ 1.1126121 0.9636307 0.5769666 ] [ -2.9562762 1.0907231 -0.9256385 ] [ -0.3296437 -0.6242605 2.040117 ] [ 1.0372956 0.1204682 -2.3358583 ] [ 4.051091 0.5166788 7.0123527 ] [ -0.4706091 -0.525537 0.8664994 ] [ -0.4634002 0.1106192 0.0545142 ] [ 1.0290288 0.5810297 -7.7830969 ] [ 1.0127789 0.3310928 0.3987428 ] [ -0.5319992 -0.6683342 3.9326263 ] [ -0.0891763 -0.3338328 0.7392239 ] [ 1.2671659 -0.3095766 -5.6472749 ] [ 2.3494269 -1.8032559 5.1819772 ] [ 0.1637935 -0.0258983 -0.6235924 ] [ -1.4458369 -0.7546952 -4.9411064 ] [ 2.6807967 -3.335361 0.5259034 ] [ -0.4820955 1.0403937 1.6108957 ] [ 2.803556 -0.1294234 0.3817388 ] [ -1.6926162 -0.6507526 -0.2269227 ] [ -2.0723674 4.8938052 -1.3727267 ] [ -0.9228283 1.6812711 30.3908661 ] [ 0.6938247 -1.4963238 -0.5676226 ] [ -0.228174 -0.093444 0.3488813 ] [ -0.3372209 -1.6187499 -29.8677512 ] [ 6.9317657 -11.6125835 56.8946966 ] [ -0.7178269 0.7024184 1.5670815 ] [ 0.2872072 0.3037467 -0.4451743 ] [ -8.1126022 12.6661418 -57.8754885 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5627387026749625e-09 9.382522530833088e-11 -6.223677513970292e-10 ] [ 2.642747397676163e-09 1.997920494626421e-09 1.0154699564110753e-09 ] [ 3.988035505191629e-10 -5.338559846339194e-10 -1.8595762284265692e-09 ] [ 4.255789659883104e-10 -3.4088569880908566e-09 2.319759485723904e-09 ] [ 1.322338369381465e-09 -5.816630123866464e-10 -2.566642886664528e-09 ] [ 2.9461900365959577e-09 -1.2340770228241864e-09 1.892387363661594e-09 ] [ 2.7476257190560685e-09 -9.918324038537646e-10 8.872985504473306e-10 ] [ 6.189158618675156e-10 1.1333563497752565e-09 -6.245548827020833e-10 ] [ -1.1783171107611322e-09 -8.282355910628353e-11 1.3321121274213313e-10 ] [ 2.603787268788169e-09 -1.7544553375062739e-09 1.0401034219558753e-09 ] [ -1.227437122254605e-10 -6.363972109770644e-10 1.6149972381196417e-10 ] [ -1.5692262564166274e-10 -1.3441653021396098e-10 -1.0420300393423872e-09 ] [ 1.1459166133940181e-09 1.0587703817648162e-09 1.9732617146910122e-09 ] [ -1.946870981828519e-09 2.8184121252102816e-09 1.1079054537185242e-09 ] [ -2.6656404187577874e-09 2.745972433001065e-09 -6.272535890021587e-10 ] [ 1.6788773017322341e-09 -8.702739818923719e-10 -2.4676932596522308e-09 ] [ 2.7748702518397866e-09 -4.210518236850455e-09 4.442587432102176e-10 ] [ -1.2715657127036372e-09 -2.2262772864300866e-10 4.4476881215921555e-09 ] [ -1.1705649791813912e-09 7.766655310808351e-10 -3.381984961371475e-10 ] [ -2.2621772579723523e-11 -5.768771506026547e-10 -4.883143705359387e-09 ] [ -1.2574207361892424e-09 -8.345401560656832e-11 1.8950780430567998e-08 ] [ -1.7297813368929677e-09 1.6226556423670657e-10 3.351705425414976e-10 ] [ 1.4555747362965447e-09 5.941463715276097e-10 1.3397109306984615e-09 ] [ -2.6651012863248882e-09 5.518348095842266e-10 -2.2084415518737827e-08 ] [ -4.533206541774624e-09 -1.5159008517288788e-09 1.719087064297387e-08 ] [ -2.5640145159181056e-10 6.834154871793716e-10 7.724928222896237e-10 ] [ 2.9447516024258034e-09 -2.429636437943044e-09 -2.7717248586978318e-09 ] [ -5.06669867209796e-09 9.981467421339995e-10 -1.309364968499264e-08 ] [ -1.3232200471758912e-09 -1.4826089032899514e-09 -2.648043392496217e-09 ] [ -4.119449235982887e-10 -1.1229981177041224e-09 2.4026163701039e-09 ] [ -6.41175061877952e-10 3.5122677156861105e-09 -6.727095827815238e-10 ] [ -1.5211438145027848e-09 -8.464023513307624e-10 2.7051214152652036e-10 ] [ -4.968240753090586e-10 1.858913247740882e-09 -4.724194646727737e-09 ] [ 8.07434692212651e-10 -6.05758947675168e-11 5.280634432355466e-09 ] [ 1.7663013507874828e-09 -5.571601242364416e-11 -1.1453712324722977e-09 ] [ -2.5970231995304757e-09 2.2158501607642576e-09 3.4880378384320894e-10 ] [ 1.7826010946391917e-09 1.5439065786251385e-09 9.244023975024653e-10 ] [ -4.736476612267465e-09 1.7475310505865004e-09 -1.483036364012381e-09 ] [ -5.28147429334009e-10 -1.0001755783889184e-09 3.2686277610966335e-09 ] [ 1.6619307591787084e-09 1.9301133358985857e-10 -3.7424575577616325e-09 ] [ 6.4905632889332935e-09 8.278106938229991e-10 1.1235027552743757e-08 ] [ -7.539988975557293e-10 -8.420030947653697e-10 1.3882850806172277e-09 ] [ -7.424489665140442e-10 1.7723149605159937e-10 8.734137674161536e-11 ] [ 1.6486858854898793e-09 9.309122013304377e-10 -1.2469895890600957e-08 ] [ 1.6226506756195413e-09 5.304691434752103e-10 6.388563918723303e-10 ] [ -8.523566805243034e-10 -1.0707894301210715e-09 6.3007619162032074e-09 ] [ -1.4287618298944704e-10 -5.348591074162022e-10 1.1843672501165972e-09 ] [ 2.0302235796549907e-09 -4.959963908667532e-10 -9.047931816010659e-09 ] [ 3.76419685145862e-09 -2.8891344442996628e-09 8.302442719358646e-09 ] [ 2.624261163390048e-10 -4.149365077846464e-11 -9.99105164188562e-10 ] [ -2.3164860786699474e-09 -1.2091550052699801e-09 -7.916525154965253e-09 ] [ 4.295109797857792e-09 -5.343837416128109e-09 8.425901322792308e-10 ] [ -7.724021390928864e-10 1.6668944625676092e-09 2.5809394290872506e-09 ] [ 4.491791878303565e-09 -2.0735914566444672e-10 6.11612980612247e-10 ] [ -2.7118701036273372e-09 -1.0426206016448142e-09 -3.6357024466881216e-10 ] [ -3.3202985979880823e-09 7.840740278189468e-09 -2.1993506254879357e-09 ] [ -1.4785339272726087e-09 2.693693249646699e-09 4.869153515128328e-08 ] [ 1.1116297132735737e-09 -2.3973750095066155e-09 -9.094316591577101e-10 ] [ -3.655750482744192e-10 -1.497137921540352e-10 5.589694622943111e-10 ] [ -5.402874420251348e-10 -2.593523244702338e-09 -4.7853412688511145e-08 ] [ 1.1105912945403347e-08 -1.8605409790787837e-08 9.115535274002925e-08 ] [ -1.1500854769613396e-09 1.1253983384997428e-09 2.510741342188195e-09 ] [ 4.6015666116542976e-10 4.866558613851514e-10 -7.132478556410055e-10 ] [ -1.2997821578690646e-08 2.0293396267697632e-08 -9.272675459207927e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -217.12503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.478726468564987e-17 } }