{ "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" [ [ 0.2869528 0.4871961 1.041667 ] [ 1.49337 1.111154 0.3370846 ] [ 0.208303 2.963803 0.6319363 ] [ 0.9157171 2.598087 2.560793 ] [ 2.236963 2.266905 1.430037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.869528e-11 4.871961e-11 1.041667e-10 ] [ 1.49337e-10 1.111154e-10 3.370846e-11 ] [ 2.08303e-11 2.963803e-10 6.319363e-11 ] [ 9.157170999999999e-11 2.598087e-10 2.560793e-10 ] [ 2.236963e-10 2.266905e-10 1.430037e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -167.2793163 -90.6296729 99.9111067 ] [ 148.484545 44.0221791 -137.5615613 ] [ -11.8630922 12.9539092 -17.796838 ] [ -50.0679513 12.4630606 66.6286541 ] [ 80.7258148 21.190524 -11.1813616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.680110097192684e-07 -1.452047430711314e-07 1.600752393129943e-07 ] [ 2.378984665491255e-07 7.05313061506904e-08 -2.20397917435606e-07 ] [ -1.900676897323484e-08 2.075445046820603e-08 -2.851367776776503e-08 ] [ -8.021770102421296e-08 1.996802431693362e-08 1.067508718743901e-07 ] [ 1.293370131675906e-07 3.39509621353013e-08 -1.791451614423088e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 72.404773 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.160052345349311e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.2358133 0.495646 1.382504 ] [ 1.8014336 0.8787123 -0.1965926 ] [ 0.1843909 3.0279615 0.3887599 ] [ 0.6770269 2.3208754 3.0029704 ] [ 2.7142678 2.7039499 1.4238762 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.358133e-11 4.95646e-11 1.382504e-10 ] [ 1.8014336e-10 8.787123e-11 -1.965926e-11 ] [ 1.843909e-11 3.0279615e-10 3.887599e-11 ] [ 6.770269e-11 2.3208754e-10 3.0029704e-10 ] [ 2.7142678e-10 2.7039499e-10 1.4238762e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.18e-05 -2.39e-05 -9e-07 ] [ 1.38e-05 1e-05 8.5e-06 ] [ -1.09e-05 1.93e-05 -1.11e-05 ] [ -2.11e-05 3.5e-06 3.28e-05 ] [ 3e-05 -8.9e-06 -2.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.890568412544e-14 -3.829202123712e-14 -1.44195895872e-15 ] [ 2.211003736704e-14 1.6021766208e-14 1.36185012768e-14 ] [ -1.746372516672e-14 3.092200878144e-14 -1.778416049088e-14 ] [ -3.380592669888e-14 5.6076181728e-15 5.255139316223999e-14 ] [ 4.8065298624e-14 -1.425937192512e-14 -4.694377498944e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072919642317e-18 } }