{ "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" [ [ 1.9401072 -3.1857043 0.1686515 ] [ 2.341811 0.836389 -0.6137913 ] [ 2.3218667 2.4154107 0.4345186 ] [ -2.9555247 -4.2019093 1.0552031 ] [ -3.6482602 4.1358139 -1.0445819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.10839439768575e-09 -5.104060950242029e-09 2.702094903628512e-10 ] [ 3.751994834532269e-09 1.340042901694291e-09 -9.83402070910439e-10 ] [ 3.720040543354048e-09 3.869914553170162e-09 6.961755422227469e-10 ] [ -4.735272576536933e-09 -6.732200843182093e-09 1.690621737015685e-09 ] [ -5.845157199035132e-09 6.626304338559669e-09 -1.673604698690844e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.441116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.313721843346081e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0363251 -0.1546406 2.3880694 ] [ 0.4368337 1.4921692 0.6817098 ] [ 0.4002751 2.1302664 3.0484522 ] [ 2.2098807 0.7181892 2.1874424 ] [ 2.0676516 3.0483905 1.5570003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.63251e-12 -1.546406e-11 2.3880694e-10 ] [ 4.368337e-11 1.4921692e-10 6.817098e-11 ] [ 4.002751e-11 2.1302664e-10 3.0484522e-10 ] [ 2.2098807e-10 7.181892e-11 2.1874424e-10 ] [ 2.0676516e-10 3.0483905e-10 1.5570003e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 -2.5e-06 1.3e-06 ] [ -2e-07 1.4e-06 4.7e-06 ] [ 9e-07 -2.9e-06 -5.8e-06 ] [ 2.5e-06 3e-07 6e-07 ] [ 1.2e-06 3.7e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.2097947936e-15 -4.005441552e-15 2.08282960704e-15 ] [ -3.2043532416e-16 2.24304726912e-15 7.53023011776e-15 ] [ 1.44195895872e-15 -4.646312200320001e-15 -9.292624400640001e-15 ] [ 4.005441552e-15 4.8065298624e-16 9.6130597248e-16 ] [ 1.92261194496e-15 5.928053496960001e-15 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }