{ "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" [ [ 1.137105 0.4960836 2.336745 ] [ 0.1995221 2.603398 2.709633 ] [ 1.958667 0.0128645 0.3845919 ] [ 2.315861 1.899112 1.511593 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137105e-10 4.960836e-11 2.336745e-10 ] [ 1.995221e-11 2.603398e-10 2.709633e-10 ] [ 1.958667e-10 1.28645e-12 3.845919e-11 ] [ 2.315861e-10 1.899112e-10 1.511593e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9349037 -5.8567517 6.5474386 ] [ -2.6392868 2.7274149 1.4710978 ] [ 1.1602564 -4.8850755 -6.409814 ] [ 6.4139341 8.0144123 -1.6087224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.906587334039417e-09 -9.383550647570656e-09 1.049015305104348e-08 ] [ -4.228603606546046e-09 4.36980038800157e-09 2.356958502070314e-09 ] [ 1.858935678213573e-09 -7.82675375694287e-09 -1.026965413447653e-08 ] [ 1.027625526237189e-08 1.284050401651196e-08 -2.577457418637266e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.604097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058092981489542e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.511756 0.0752349 2.4132874 ] [ 0.692011 2.3476031 2.7032655 ] [ 2.0953226 0.1621029 0.7504518 ] [ 2.3120655 2.4265171 1.0755581 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.11756e-11 7.52349e-12 2.4132874e-10 ] [ 6.92011e-11 2.3476031e-10 2.7032655e-10 ] [ 2.0953226e-10 1.621029e-11 7.504518e-11 ] [ 2.3120655e-10 2.4265171e-10 1.0755581e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 -6.2e-06 -5.73e-05 ] [ 2.71e-05 -1.37e-05 2.9e-05 ] [ -8.2e-06 2.32e-05 7.53e-05 ] [ -1.38e-05 -3.3e-06 -4.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.17110076608e-15 -9.93349504896e-15 -9.180472037184001e-14 ] [ 4.341898642368e-14 -2.194981970496e-14 4.64631220032e-14 ] [ -1.313784829056e-14 3.717049760256e-14 1.2064389954624e-13 ] [ -2.211003736704e-14 -5.28718284864e-15 -7.530230117759999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.755713 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.883472852943463e-18 } }