{ "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" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.5888398 -0.5517438 -10.4052164 ] [ -6.5960701 -8.4832299 6.7376231 ] [ 4.9957281 3.318851 -7.7178839 ] [ 2.0998329 -2.185324 1.5411144 ] [ 11.0893488 7.9014467 9.8443628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.856736818975655e-08 -8.839910170313511e-10 -1.667099445044474e-08 ] [ -1.056806930337792e-08 -1.359163261465152e-08 1.079486221058202e-08 ] [ 8.004038765693605e-09 5.317385480118701e-09 -1.236541314662872e-08 ] [ 3.364303179966664e-09 -3.501275021673139e-09 2.469137461658219e-09 ] [ 1.776709538725654e-08 1.265951317323731e-08 1.577240792483323e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.98793492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.582846231695918e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7395412 1.7028887 1.7678505 ] [ 1.9165966 0.4062307 3.722193 ] [ 3.6467965 3.0722624 1.628878 ] [ 3.9332926 0.9741994 4.7910571 ] [ 5.0025672 2.6219696 3.4973674 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7395412e-10 1.7028887e-10 1.7678505e-10 ] [ 1.9165966e-10 4.062307e-11 3.722193e-10 ] [ 3.6467965e-10 3.0722624e-10 1.628878e-10 ] [ 3.9332926e-10 9.741994e-11 4.7910571e-10 ] [ 5.0025672e-10 2.6219696e-10 3.4973674e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -4.4e-06 -4.2e-06 ] [ -1.49e-05 -1.74e-05 3e-06 ] [ 1.09e-05 4.9e-06 1.33e-05 ] [ 1.3e-06 1.59e-05 -7.3e-06 ] [ 1.21e-05 1e-06 -4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.490024257344e-14 -7.04957713152e-15 -6.72914180736e-15 ] [ -2.387243164992e-14 -2.787787320192e-14 4.8065298624e-15 ] [ 1.746372516672e-14 7.850665441919999e-15 2.130894905664e-14 ] [ 2.08282960704e-15 2.547460827072e-14 -1.169588933184e-14 ] [ 1.938633711168e-14 1.6021766208e-15 -7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.566682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853186748062819e-18 } }