{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.91701 1.98827 2.508844 ] [ 2.572173 1.794465 4.860558 ] [ 4.363165 1.510923 1.91691 ] [ 4.651171 2.095892 4.214607 ] [ 5.448722 3.893309 2.444809 ] [ 3.326625 3.729664 3.343147 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.91701e-10 1.98827e-10 2.508844e-10 ] [ 2.572173e-10 1.794465e-10 4.860558000000001e-10 ] [ 4.363165000000001e-10 1.510923e-10 1.91691e-10 ] [ 4.651171e-10 2.095892e-10 4.214607e-10 ] [ 5.448722e-10 3.893309e-10 2.444809e-10 ] [ 3.326625e-10 3.729664e-10 3.343147e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9035014 -0.1649846 0.5486126 ] [ -1.6114183 0.7748949 -1.3084967 ] [ -0.8381765 1.8892042 1.5803254 ] [ 2.6415908 0.1203545 -1.5598529 ] [ -0.4116911 -2.1136438 0.022712 ] [ -1.6838064 -0.5058253 0.7166998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.049745440740069e-09 -2.643344689120397e-10 8.789742815963021e-10 ] [ -2.581776726589281e-09 1.241518492357154e-09 -2.096442821133952e-09 ] [ -1.342906792403971e-09 3.026838801157168e-09 2.531960409136408e-09 ] [ 4.232295021480368e-09 1.928291661080736e-10 -2.499159848267081e-09 ] [ -6.596018554114348e-10 -3.386430681058871e-09 3.63886354116096e-11 ] [ -2.697755248033413e-09 -8.104214698691463e-10 1.148279663692036e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.060635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.694721025780222e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2763223 2.3166961 2.2994523 ] [ 2.6549244 1.7370887 4.4951033 ] [ 4.3637655 1.2782763 2.2069984 ] [ 4.8953444 2.2841851 4.2426386 ] [ 4.9091351 3.5140267 2.2715277 ] [ 3.1793743 3.8822501 3.7731548 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2763223e-10 2.3166961e-10 2.2994523e-10 ] [ 2.6549244e-10 1.7370887e-10 4.495103300000001e-10 ] [ 4.3637655e-10 1.2782763e-10 2.2069984e-10 ] [ 4.8953444e-10 2.2841851e-10 4.2426386e-10 ] [ 4.9091351e-10 3.5140267e-10 2.2715277e-10 ] [ 3.1793743e-10 3.8822501e-10 3.7731548e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.11e-05 0.0001111 9.9e-06 ] [ -2.32e-05 -6.45e-05 -2.8e-06 ] [ 1.74e-05 4.5e-06 9.08e-05 ] [ -1.9e-06 9.7e-06 -3.4e-05 ] [ -7.98e-05 -2.63e-05 -4.99e-05 ] [ 6.4e-06 -3.45e-05 -1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2993652394688e-13 1.7800182257088e-13 1.586154854592e-14 ] [ -3.717049760256e-14 -1.033403920416e-13 -4.48609453824e-15 ] [ 2.787787320192e-14 7.2097947936e-15 1.4547763716864e-13 ] [ -3.04413557952e-15 1.554111322176e-14 -5.44740051072e-14 ] [ -1.2785369433984e-13 -4.213724512704e-14 -7.994861337792e-14 ] [ 1.025393037312e-14 -5.52750934176e-14 -2.259069035328e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.007871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.166920287298232e-18 } }