{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.4235407 -5.9436792 -11.2736094 ] [ -9.2251257 -7.3969815 6.5577937 ] [ -11.8890486 18.9457824 -7.5582382 ] [ 10.3082331 -2.2593114 -3.0154715 ] [ 9.110875 -12.8702513 6.5957383 ] [ 3.4620526 3.7716347 -2.0011592 ] [ 10.6565543 5.7528064 10.6949464 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9904706621088e-08 -9.522823934231813e-09 -1.806231356152276e-08 ] [ -1.478028084225289e-08 -1.185127092143027e-08 1.05067438367324e-08 ] [ -1.904835586741041e-08 3.035448987412843e-08 -1.210963263824622e-08 ] [ 1.651561021064539e-08 -3.619815934009827e-09 -4.83131797779293e-09 ] [ 1.459723104029475e-08 -2.062041590656812e-08 1.056753778823888e-08 ] [ 5.546819781398948e-09 6.042824988323599e-09 -3.206210511154133e-09 ] [ 1.707368229841222e-08 9.217011994005657e-09 1.713519322396241e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1475184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.305376360556506e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1016865 2.3964931 1.6792259 ] [ 1.9880229 2.4129608 4.2110701 ] [ 2.1639725 4.6590491 2.8195703 ] [ 4.5625425 2.207901 1.6859669 ] [ 4.4165539 1.6970941 4.0961933 ] [ 4.6437311 4.5971092 2.2995811 ] [ 3.9568596 4.1173566 4.6915404 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1016865e-10 2.3964931e-10 1.6792259e-10 ] [ 1.9880229e-10 2.4129608e-10 4.2110701e-10 ] [ 2.1639725e-10 4.6590491e-10 2.8195703e-10 ] [ 4.5625425e-10 2.207901e-10 1.6859669e-10 ] [ 4.4165539e-10 1.6970941e-10 4.0961933e-10 ] [ 4.6437311e-10 4.5971092e-10 2.2995811e-10 ] [ 3.9568596e-10 4.1173566e-10 4.6915404e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 1e-06 -1.5e-06 ] [ -3.2e-06 7e-07 -4.1e-06 ] [ 3.9e-06 2.8e-06 5.5e-06 ] [ 6.6e-06 3e-06 2e-06 ] [ 5.1e-06 -2.3e-06 3.6e-06 ] [ -6.5e-06 -6.2e-06 -2.4e-06 ] [ -8e-07 1.1e-06 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.1711008334e-15 1.602176634e-15 -2.403264951e-15 ] [ -5.1269652288e-15 1.1215236438e-15 -6.568924199399999e-15 ] [ 6.248488872599999e-15 4.486094575199999e-15 8.811971486999999e-15 ] [ 1.05743657844e-14 4.806529901999999e-15 3.204353268e-15 ] [ 8.1711008334e-15 -3.685006258199999e-15 5.767835882399999e-15 ] [ -1.0414148121e-14 -9.9334951308e-15 -3.845223921599999e-15 ] [ -1.2817413072e-15 1.7623942974e-15 -4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }