{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7699977 0.2576193 1.27547 ] [ 0.6265566 2.494782 0.6353127 ] [ 2.748297 1.297333 0.3747024 ] [ 2.66914 2.750152 1.670621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.699977e-11 2.576193e-11 1.27547e-10 ] [ 6.265566000000001e-11 2.494782e-10 6.353127e-11 ] [ 2.748297e-10 1.297333e-10 3.747024e-11 ] [ 2.66914e-10 2.750152e-10 1.670621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0792762 -6.0164096 1.6932595 ] [ -10.2271334 8.591008 -1.0149267 ] [ 10.718728 -20.9226256 -16.9039577 ] [ 1.5876816 18.3480272 16.225625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.331367715825865e-09 -9.639350802276681e-09 2.712900783847497e-09 ] [ -1.638567403128282e-08 1.376431216670577e-08 -1.626091830565695e-09 ] [ 1.717329540631435e-08 -3.352174158207157e-08 -2.708312582593214e-08 ] [ 2.543746340794338e-09 2.939678021764249e-08 2.5996317032868e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.2569491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.616031082355602e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.684918 0.2329241 0.6825 ] [ 0.2058212 2.6825903 1.2629205 ] [ 3.2011762 0.7173573 0.7151152 ] [ 2.7220758 3.1670146 1.2955703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.84918e-11 2.329241e-11 6.825e-11 ] [ 2.058212e-11 2.6825903e-10 1.2629205e-10 ] [ 3.2011762e-10 7.173573e-11 7.151151999999999e-11 ] [ 2.7220758e-10 3.1670146e-10 1.2955703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.33e-05 2.44e-05 1e-06 ] [ -8.5e-06 -8.8e-06 2.1e-06 ] [ -1.54e-05 2.3e-06 4.9e-06 ] [ 7e-07 -1.79e-05 -8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.733071526464e-14 3.909310954752e-14 1.6021766208e-15 ] [ -1.36185012768e-14 -1.409915426304e-14 3.36457090368e-15 ] [ -2.467351996032e-14 3.68500622784e-15 7.850665441919999e-15 ] [ 1.12152363456e-15 -2.867896151232001e-14 -1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.704511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.715051726129643e-18 } }