{ "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" [ [ -31.4223567 4.3596859 4.170957 ] [ -0.435281 -9.1323343 -8.2518807 ] [ -0.3236547 8.3252311 10.6537654 ] [ 8.2545864 0.5306191 -15.0858405 ] [ 23.9267059 -4.0832017 8.5129989 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.034416568995334e-08 6.98498688055926e-09 6.682609846818737e-09 ] [ -6.97397047424154e-10 -1.463161262933675e-08 -1.322097044409556e-08 ] [ -5.185519978242798e-10 1.333849074107012e-08 1.706921398799766e-08 ] [ 1.322530545341418e-08 8.501455235741094e-10 -2.417018115335087e-08 ] [ 3.833480912156993e-08 -6.542010355649077e-09 1.36393279228477e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.2668371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.029696800704321e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7046184 1.1764143 3.4906691 ] [ 1.1258287 2.051752 -0.1406316 ] [ -0.0679544 2.5549774 1.7877819 ] [ 2.636169 0.3621282 0.3704224 ] [ 2.3758656 -0.1788413 2.6146873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.046184e-11 1.1764143e-10 3.4906691e-10 ] [ 1.1258287e-10 2.051752e-10 -1.406316e-11 ] [ -6.79544e-12 2.5549774e-10 1.7877819e-10 ] [ 2.636169e-10 3.621282e-11 3.704224e-11 ] [ 2.3758656e-10 -1.788413e-11 2.6146873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.51e-05 -1.5e-06 2.73e-05 ] [ -1.67e-05 -5.4e-06 -2.12e-05 ] [ -3.31e-05 5.41e-05 4.1e-06 ] [ 4.3e-05 -7.4e-06 -2.83e-05 ] [ 2.18e-05 -3.98e-05 1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.41928671734e-14 -2.403264951e-15 4.37394221082e-14 ] [ -2.67563497878e-14 -8.6517538236e-15 -3.39661446408e-14 ] [ -5.303204658539999e-14 8.66777558994e-14 6.568924199399999e-15 ] [ 6.889359526199999e-14 -1.18561070916e-14 -4.53415987422e-14 ] [ 3.492745062119999e-14 -6.376663003319999e-14 2.899939707539999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }