{ "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" [ [ 2.000595 3.042383 1.797674 ] [ 1.826337 5.433854 1.209578 ] [ 3.662908 4.706413 0.0276768 ] [ 4.382961 3.15094 1.702274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.000595e-10 3.042383e-10 1.797674e-10 ] [ 1.826337e-10 5.433854e-10 1.209578e-10 ] [ 3.662908e-10 4.706413e-10 2.76768e-12 ] [ 4.382961e-10 3.15094e-10 1.702274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.425098 2.1949686 -1.623078 ] [ -0.4672553 -0.678813 0.5894274 ] [ -0.6527182 -1.7457817 1.2507585 ] [ -0.3051245 0.2296261 -0.2171079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.283258697948838e-09 3.516727374310107e-09 -2.600457625334822e-09 ] [ -7.486255176048903e-10 -1.087578318495111e-09 9.4436679993893e-10 ] [ -1.045769840010659e-09 -2.797050624760479e-09 2.003936026966877e-09 ] [ -4.888633403332897e-10 3.679015689454829e-10 -3.478452015709843e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7977128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.569766638547291e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1603174 3.2513058 1.6610741 ] [ 1.6181139 5.5240072 1.1850356 ] [ 3.5641492 4.5676742 0.1929964 ] [ 4.5302206 2.9906028 1.6980967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1603174e-10 3.2513058e-10 1.6610741e-10 ] [ 1.6181139e-10 5.5240072e-10 1.1850356e-10 ] [ 3.5641492e-10 4.5676742e-10 1.929964e-11 ] [ 4.5302206e-10 2.9906028e-10 1.6980967e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 -1.16e-05 3.12e-05 ] [ -3.72e-05 1.99e-05 -1.65e-05 ] [ 2.98e-05 1.59e-05 0.0 ] [ 1.3e-06 -2.42e-05 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 -1.858524880128e-14 4.998791056896e-14 ] [ -5.960097029376001e-14 3.188331475392e-14 -2.64359142432e-14 ] [ 4.774486329984001e-14 2.547460827072e-14 0.0 ] [ 2.08282960704e-15 -3.877267422336e-14 -2.355199632576e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.766829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.725036170395144e-18 } }