{ "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" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1587659 -2.9664949 -11.1384286 ] [ -0.8374395 -0.4100285 9.0899301 ] [ -5.381079 3.2003199 -2.1964029 ] [ 4.976555 -1.1013109 -11.9349179 ] [ 1.0831976 1.2775144 16.1798194 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.543710131602707e-10 -4.752848774502434e-09 -1.784572989537008e-08 ] [ -1.341725988234442e-09 -6.569380765616928e-10 1.456367349092621e-08 ] [ -8.621438968477843e-09 5.127477722860994e-09 -3.51902537623732e-09 ] [ 7.973320073125344e-09 -1.764494576212207e-09 -1.912184643054743e-08 ] [ 1.73547387042667e-09 2.04680370441534e-09 2.592292837144628e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.205236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.115712039134651e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9462376 0.5945716 0.4533469 ] [ 1.1866151 0.2164885 2.7117854 ] [ 0.6602047 2.9299619 0.3383235 ] [ 2.7950522 1.9646389 -0.050505 ] [ 2.0210194 2.2877876 2.1507503 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.462376e-11 5.945716e-11 4.533469e-11 ] [ 1.1866151e-10 2.164885e-11 2.7117854e-10 ] [ 6.602047e-11 2.9299619e-10 3.383235e-11 ] [ 2.7950522e-10 1.9646389e-10 -5.0505e-12 ] [ 2.0210194e-10 2.2877876e-10 2.1507503e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-05 -6.3e-06 1.05e-05 ] [ -6.1e-06 -1.59e-05 1.87e-05 ] [ -2.61e-05 1.07e-05 9.1e-06 ] [ 6.92e-05 9.2e-06 -3.91e-05 ] [ -1.4e-05 2.2e-06 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-14 -1.009371271104e-14 1.68228545184e-14 ] [ -9.77327738688e-15 -2.547460827072e-14 2.996070280896e-14 ] [ -4.181680980288e-14 1.714328984256e-14 1.457980724928e-14 ] [ 1.1087062215936e-13 1.474002491136e-14 -6.264510587328001e-14 ] [ -2.24304726912e-14 3.52478856576e-15 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.206918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.23750515980227e-18 } }