{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1917174 -3.0199197 -0.3316447 ] [ 0.1897424 2.3920449 -0.4193273 ] [ 0.3059473 -1.5509891 0.8740534 ] [ -1.4281925 -2.1023977 -0.2755487 ] [ 0.1818335 0.236905 -1.3860312 ] [ 0.2585692 3.2253943 0.7459606 ] [ 0.6838174 0.8189622 0.7925379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.071651360805619e-10 -4.83844474003335e-09 -5.313533847522297e-10 ] [ 3.040008372544819e-10 3.832478414683874e-09 -6.71836396523188e-10 ] [ 4.901816112568839e-10 -2.484958475135633e-09 1.400387922810751e-09 ] [ -2.288216633501904e-09 -3.368412442563692e-09 -4.414776850318329e-10 ] [ 2.913293825782368e-10 3.79563652350624e-10 -2.220666784339369e-09 ] [ 4.142735270989594e-10 5.167651340321582e-09 1.195160633357941e-09 ] [ 1.095596251176242e-09 1.312122090158934e-09 1.269785694477928e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.003561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.365141438774667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6453478 2.2563208 2.7978577 ] [ 2.8363088 4.5198735 3.2834013 ] [ 5.6954253 2.5317328 1.5542558 ] [ 3.5251148 2.8819536 0.7410403 ] [ 4.8297302 1.9042528 3.6164896 ] [ 4.7119648 4.7452576 1.7542668 ] [ 5.0064812 4.170019 4.0971604 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6453478e-10 2.2563208e-10 2.7978577e-10 ] [ 2.8363088e-10 4.5198735e-10 3.2834013e-10 ] [ 5.695425300000001e-10 2.5317328e-10 1.5542558e-10 ] [ 3.5251148e-10 2.8819536e-10 7.410403e-11 ] [ 4.8297302e-10 1.9042528e-10 3.6164896e-10 ] [ 4.7119648e-10 4.7452576e-10 1.7542668e-10 ] [ 5.0064812e-10 4.170019e-10 4.0971604e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.45e-05 -2.04e-05 -8.8e-06 ] [ -3e-07 3.49e-05 2.58e-05 ] [ 2.69e-05 3.27e-05 -1.7e-06 ] [ -1.15e-05 -2.2e-06 -3.37e-05 ] [ 1.9e-06 -9.1e-06 2.44e-05 ] [ -6.1e-06 -3.32e-05 -2.13e-05 ] [ 1.35e-05 -2.7e-06 1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.92533272096e-14 -3.268440306432e-14 -1.409915426304e-14 ] [ -4.8065298624e-16 5.591596406592e-14 4.133615681664e-14 ] [ 4.309855109952001e-14 5.239117550016001e-14 -2.72370025536e-15 ] [ -1.84250311392e-14 -3.52478856576e-15 -5.399335212096e-14 ] [ 3.04413557952e-15 -1.457980724928e-14 3.909310954752e-14 ] [ -9.77327738688e-15 -5.319226381056e-14 -3.412636202304e-14 ] [ 2.16293843808e-14 -4.32587687616e-15 2.435308463616e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }