{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1861312 -4.5480398 -3.934156 ] [ 0.8550241 -3.2813051 3.3908884 ] [ 1.0275082 1.9403314 1.9184519 ] [ 0.1915518 5.3053326 1.9346526 ] [ 0.6286471 -3.2099207 -0.6825851 ] [ 4.056932 2.2646096 -1.9078444 ] [ -6.573532 1.5289919 -0.7194074 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.98215057041449e-10 -7.286763038027908e-09 -6.303212765780045e-09 ] [ 1.369899623240561e-09 -5.257230316931807e-09 5.432802118221919e-09 ] [ 1.646249615720291e-09 3.108753605684134e-09 3.07369878230934e-09 ] [ 3.068998156321574e-10 8.500079857288078e-09 3.099655165089934e-09 ] [ 1.00720368635372e-09 -5.142859900161971e-09 -1.09362188892643e-09 ] [ 6.499921602575385e-09 3.62830455635924e-09 -3.056703693804204e-09 ] [ -1.053195928648067e-08 2.449715075572572e-09 -1.152617717110514e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.140559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.387090938044303e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4033145 0.9961326 1.9345153 ] [ 1.3430869 1.093843 4.1379931 ] [ 1.9494959 3.1094077 5.6014684 ] [ 2.2547271 3.2390767 3.0658557 ] [ 4.5608278 -0.0079606 2.7212308 ] [ 4.4382981 2.5035947 2.1412244 ] [ 3.7777346 1.7033485 4.4467684 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4033145e-10 9.961326000000001e-11 1.9345153e-10 ] [ 1.3430869e-10 1.093843e-10 4.1379931e-10 ] [ 1.9494959e-10 3.1094077e-10 5.601468400000001e-10 ] [ 2.2547271e-10 3.2390767e-10 3.0658557e-10 ] [ 4.5608278e-10 -7.9606e-13 2.7212308e-10 ] [ 4.4382981e-10 2.5035947e-10 2.1412244e-10 ] [ 3.7777346e-10 1.7033485e-10 4.4467684e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.97e-05 1.63e-05 5.56e-05 ] [ 1.86e-05 1.36e-05 1.21e-05 ] [ -6.9e-06 2.4e-06 -3.39e-05 ] [ 6.8e-06 -4.21e-05 -2.3e-06 ] [ -3.31e-05 5.81e-05 -1.71e-05 ] [ 0.0 -2.68e-05 5.79e-05 ] [ -5.2e-06 -2.13e-05 -7.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.156287942976e-14 2.611547891904e-14 8.908102011648e-14 ] [ 2.980048514688e-14 2.178960204288e-14 1.938633711168e-14 ] [ -1.105501868352e-14 3.84522388992e-15 -5.431378744512e-14 ] [ 1.089480102144e-14 -6.745163573568001e-14 -3.68500622784e-15 ] [ -5.303204614848e-14 9.308646166848001e-14 -2.739722021568e-14 ] [ 0.0 -4.293833343744e-14 9.276602634432e-14 ] [ -8.33131842816e-15 -3.412636202304e-14 -1.1583736968384e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.727545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.961789448877994e-18 } }