{ "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" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4438501 1.9564975 1.3329791 ] [ -18.1525844 -26.9784177 0.1547559 ] [ 27.4729665 1.2258861 -21.4356786 ] [ -20.8786944 16.5812139 -16.7357612 ] [ 13.0021625 7.2148202 36.6837048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.313302874159742e-09 3.134654553153648e-09 2.135667950035025e-09 ] [ -2.908364633277879e-08 -4.322419010511691e-08 2.479462849108627e-10 ] [ 4.40165446303216e-08 1.964086049183691e-09 -3.434374310390288e-08 ] [ -3.345135604050788e-08 2.656603325506399e-08 -2.681364532593175e-08 ] [ 2.083176077734248e-08 1.155941624771558e-08 5.877377419488874e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.48459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.000251821827347e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1633967 3.1895115 2.5445022 ] [ 1.3135231 0.0827801 1.5890313 ] [ 3.6004823 2.1909956 0.6337901 ] [ 1.1320393 2.1873743 0.2577167 ] [ 2.9195614 1.4548173 2.9204996 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1633967e-10 3.1895115e-10 2.5445022e-10 ] [ 1.3135231e-10 8.27801e-12 1.5890313e-10 ] [ 3.6004823e-10 2.1909956e-10 6.337901e-11 ] [ 1.1320393e-10 2.1873743e-10 2.577167e-11 ] [ 2.9195614e-10 1.4548173e-10 2.9204996e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.9e-06 -4e-06 -1.5e-06 ] [ 3.3e-06 6.6e-06 7e-07 ] [ -8.9e-06 -1.5e-06 2.9e-06 ] [ -2.2e-06 1.7e-06 -9.7e-06 ] [ 5e-06 -2.9e-06 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.646312200320001e-15 -6.4087064832e-15 -2.4032649312e-15 ] [ 5.28718284864e-15 1.057436569728e-14 1.12152363456e-15 ] [ -1.425937192512e-14 -2.4032649312e-15 4.646312200320001e-15 ] [ -3.52478856576e-15 2.72370025536e-15 -1.554111322176e-14 ] [ 8.010883104e-15 -4.646312200320001e-15 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }