{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6564726 -1.5167685 0.9506522 ] [ 1.3201452 -1.198143 -2.0340857 ] [ 1.3630274 -4.2246763 1.1674984 ] [ 1.8379634 3.3385015 1.5033537 ] [ -1.3586561 -0.4880761 -4.2474489 ] [ 1.5626682 0.3390016 2.7238936 ] [ -1.0686755 3.7501607 -0.0638633 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.85831491431579e-09 -2.430131029865885e-09 1.523112729352086e-09 ] [ 2.11510577550134e-09 -1.919636702975174e-09 -3.258964553243603e-09 ] [ 2.18381063378981e-09 -6.768677598307846e-09 1.870538641301407e-09 ] [ 2.944741989366079e-09 5.348869051805731e-09 2.408638150933177e-09 ] [ -2.176807039127307e-09 -7.81984116591243e-10 -6.805163325622677e-09 ] [ 2.503670456107619e-09 5.431404379337933e-10 4.364158643466747e-09 ] [ -1.71220690132175e-09 6.008419797782962e-09 -1.023202861871366e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.618983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.983089926567265e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3471346 2.1895822 2.7966297 ] [ 5.4229103 2.1434574 1.5751605 ] [ 4.4235758 1.3189241 3.5740314 ] [ 5.3257067 4.3819417 2.4155235 ] [ 3.476634 3.45534 1.10886 ] [ 4.8487261 3.4431728 4.5643994 ] [ 3.0522214 4.4160367 3.3183784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3471346e-10 2.1895822e-10 2.7966297e-10 ] [ 5.4229103e-10 2.1434574e-10 1.5751605e-10 ] [ 4.4235758e-10 1.3189241e-10 3.5740314e-10 ] [ 5.325706699999999e-10 4.3819417e-10 2.4155235e-10 ] [ 3.476634e-10 3.45534e-10 1.10886e-10 ] [ 4.8487261e-10 3.4431728e-10 4.5643994e-10 ] [ 3.0522214e-10 4.4160367e-10 3.3183784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -0.0 -1.15e-05 ] [ 7e-07 -4.2e-06 4.7e-06 ] [ 1.2e-06 8.7e-06 7e-06 ] [ 1.2e-06 3.9e-06 -1.1e-06 ] [ -1.33e-05 3.5e-06 -4.3e-06 ] [ 9.6e-06 -7.3e-06 8.4e-06 ] [ 1.1e-06 -4.6e-06 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 0.0 -1.84250311392e-14 ] [ 1.12152363456e-15 -6.72914180736e-15 7.53023011776e-15 ] [ 1.92261194496e-15 1.393893660096e-14 1.12152363456e-14 ] [ 1.92261194496e-15 6.24848882112e-15 -1.76239428288e-15 ] [ -2.130894905664e-14 5.6076181728e-15 -6.889359469440001e-15 ] [ 1.538089555968e-14 -1.169588933184e-14 1.345828361472e-14 ] [ 1.76239428288e-15 -7.370012455680001e-15 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }