{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -441.0229046 47.1161646 7.3709335 ] [ -4.362802 -125.5099054 -171.9024451 ] [ 9.4882076 114.9419406 173.5719031 ] [ 8.4328021 9.9268037 -95.8285369 ] [ 427.4646968 -46.4750035 86.7881455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.065965869874288e-07 7.548841738388457e-08 1.180953732717152e-08 ] [ -6.989979365579482e-09 -2.010890361106997e-07 -2.754180785975755e-07 ] [ 1.520178439001688e-08 1.841572899787023e-07 2.78092845174583e-07 ] [ 1.351083837245314e-08 1.590449280741094e-08 -1.535342414266501e-07 ] [ 6.848739434303205e-07 -7.446116405929818e-08 1.390499376826887e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 112.48564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.802218625837253e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.3064183 0.8331999 2.7761105 ] [ 0.6261086 1.4677994 0.2285959 ] [ 0.2274229 3.3239224 2.0137994 ] [ 2.9601001 0.4740704 0.3339093 ] [ 2.6544774 -0.1325614 2.770514 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.064183e-11 8.331999e-11 2.7761105e-10 ] [ 6.261086000000001e-11 1.4677994e-10 2.285959e-11 ] [ 2.274229e-11 3.3239224e-10 2.0137994e-10 ] [ 2.9601001e-10 4.740704e-11 3.339093e-11 ] [ 2.6544774e-10 -1.325614e-11 2.770514e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 -2.04e-05 5.33e-05 ] [ 3.14e-05 -5e-05 -1.6e-06 ] [ -1.7e-06 3.93e-05 -8.2e-06 ] [ 1.13e-05 3.44e-05 -1.22e-05 ] [ -5.46e-05 -3.4e-06 -3.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.178960204288e-14 -3.268440306432e-14 8.539601388864e-14 ] [ 5.030834589312e-14 -8.010883104e-14 -2.56348259328e-15 ] [ -2.72370025536e-15 6.296554119743999e-14 -1.313784829056e-14 ] [ 1.810459581504e-14 5.511487575552001e-14 -1.954655477376e-14 ] [ -8.747884349568e-14 -5.44740051072e-15 -5.014812823104e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }