{ "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" [ [ 0.3890178 0.3060136 0.2686133 ] [ 1.00003 0.111897 2.250713 ] [ 0.4846776 2.300953 2.298336 ] [ 2.957925 0.3909324 0.2522672 ] [ 2.37443 2.221414 1.416157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.890178e-11 3.060136e-11 2.686133e-11 ] [ 1.00003e-10 1.11897e-11 2.250713e-10 ] [ 4.846776e-11 2.300953e-10 2.298336e-10 ] [ 2.957925e-10 3.909324e-11 2.522672e-11 ] [ 2.37443e-10 2.221414e-10 1.416157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2388284 5.2543925 -3.148699 ] [ 5.8282535 0.3556403 4.3213338 ] [ -6.1269048 -1.9715852 -0.7443839 ] [ -3.7472903 -1.8860747 1.1651773 ] [ 2.8071132 -1.7523728 -1.5934283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.984821916015605e-09 8.418464889364844e-09 -5.044771965299165e-09 ] [ 9.337891574728718e-09 5.697985787687502e-10 6.923540042074428e-09 ] [ -9.816383709302442e-09 -3.158827739380217e-09 -1.192634491305792e-09 ] [ -6.003820959474849e-09 -3.021824814318559e-09 1.866819844527208e-09 ] [ 4.497491178032968e-09 -2.807610754217155e-09 -2.552953590214342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.59125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.65821130788525e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.366211 0.5662398 0.3156085 ] [ 1.4651879 0.2023009 2.294055 ] [ 0.2083405 2.1706176 1.9850315 ] [ 2.6658795 0.257708 0.268049 ] [ 2.5004615 2.1343437 1.6233425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.66211e-11 5.662398e-11 3.156085e-11 ] [ 1.4651879e-10 2.023009e-11 2.294055e-10 ] [ 2.083405e-11 2.1706176e-10 1.9850315e-10 ] [ 2.6658795e-10 2.57708e-11 2.68049e-11 ] [ 2.5004615e-10 2.1343437e-10 1.6233425e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001401 -0.0001063 -0.0001031 ] [ -2.23e-05 -3.95e-05 1.59e-05 ] [ 3.52e-05 2.52e-05 2.72e-05 ] [ 2.83e-05 4.9e-06 9.1e-06 ] [ 9.88e-05 0.0001157 5.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.244649464234e-13 -1.703113761942e-13 -1.651844109654e-13 ] [ -3.572853893819999e-14 -6.328597704299999e-14 2.54746084806e-14 ] [ 5.63966175168e-14 4.037485117679999e-14 4.35792044448e-14 ] [ 4.53415987422e-14 7.850665506599998e-15 1.45798073694e-14 ] [ 1.582950514392e-13 1.853718365538e-13 8.155079067059998e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247335191657e-18 } }