{ "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" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5240935 -8.5201253 2.3716667 ] [ -1.8870592 2.1372903 -9.7609154 ] [ -2.0589541 6.6600751 7.0966349 ] [ 1.3033227 1.5163361 -0.350029 ] [ 2.1185971 -1.7935763 0.6426428 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.396903528132448e-10 -1.365074556194659e-08 3.799828939069888e-09 ] [ -3.023402132305552e-09 3.424316550522619e-09 -1.563871045148668e-08 ] [ -3.298808122320305e-09 1.067061661799222e-08 1.137006252313335e-08 ] [ 2.088153159297932e-09 2.429438248695051e-09 -5.608082804020032e-10 ] [ 3.39436674251468e-09 -2.873626015480967e-09 1.02962726968545e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8824456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.102689343424783e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2615454 0.1591293 2.3056346 ] [ 0.1112191 1.5253528 0.0793992 ] [ 0.0537183 2.4549779 3.5430472 ] [ 2.6860299 0.6725819 2.208084 ] [ 1.9658033 2.4223328 1.7265091 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.615454e-11 1.591293e-11 2.3056346e-10 ] [ 1.112191e-11 1.5253528e-10 7.939920000000001e-12 ] [ 5.37183e-12 2.4549779e-10 3.5430472e-10 ] [ 2.6860299e-10 6.725819e-11 2.208084e-10 ] [ 1.9658033e-10 2.4223328e-10 1.7265091e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 4.82e-05 -8.5e-06 ] [ 2.92e-05 6.5e-06 5.9e-06 ] [ -1.4e-05 3.6e-06 2.78e-05 ] [ 8.62e-05 -0.0001163 2.69e-05 ] [ -0.0001046 5.81e-05 -5.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 7.722491312256001e-14 -1.36185012768e-14 ] [ 4.678355732736e-14 1.04141480352e-14 9.45284206272e-15 ] [ -2.24304726912e-14 5.76783583488e-15 4.454051005824e-14 ] [ 1.3810762471296e-13 -1.8633314099904e-13 4.309855109952001e-14 ] [ -1.6758767453568e-13 9.308646166848001e-14 -8.347340194367999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.64318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.865443078776614e-18 } }