{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.113817 1.7713522 0.5738545 ] [ -0.3443517 0.0022879 0.6797813 ] [ -0.4339294 -1.7883896 -0.1234225 ] [ -0.3425623 0.4612331 -0.4515485 ] [ 1.1834256 -0.1524539 -1.8742914 ] [ 2.1171544 0.8003887 0.1383567 ] [ -0.0659198 -1.0944184 1.0572699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.386708205951978e-09 2.838019105424494e-09 9.19416271215753e-10 ] [ -5.517122476181777e-10 3.665619920928599e-12 1.089129715090144e-09 ] [ -6.952315454856395e-10 -2.865316029608606e-09 -1.97744645609865e-10 ] [ -5.488453127492982e-10 7.389768956473853e-10 -7.23460455817749e-10 ] [ 1.89605684439743e-09 -2.442580763421726e-10 -3.002945886387147e-09 ] [ 3.392055310250289e-09 1.282364073257636e-09 2.216718718973478e-10 ] [ -1.056151632779532e-10 -1.753451588299665e-09 1.693933129611517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.259108 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.406084609728247e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2113673 5.4637642 3.3233478 ] [ 5.2994617 2.6332797 1.6664276 ] [ 2.9765575 2.6791194 1.9766816 ] [ 5.6151721 3.2642051 3.879616 ] [ 4.0944871 4.6906734 1.1951048 ] [ 5.5342717 5.4179323 3.013096 ] [ 3.2772227 3.3103359 4.1918811 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2113673e-10 5.4637642e-10 3.3233478e-10 ] [ 5.2994617e-10 2.6332797e-10 1.6664276e-10 ] [ 2.9765575e-10 2.6791194e-10 1.9766816e-10 ] [ 5.6151721e-10 3.2642051e-10 3.879616e-10 ] [ 4.094487100000001e-10 4.6906734e-10 1.1951048e-10 ] [ 5.5342717e-10 5.417932300000001e-10 3.013096e-10 ] [ 3.2772227e-10 3.3103359e-10 4.1918811e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 6.7e-06 8e-07 ] [ 3e-06 -5.6e-06 -1.8e-06 ] [ -6.2e-06 -7.6e-06 -1.3e-06 ] [ 2.2e-06 -2.5e-06 3.3e-06 ] [ -1.5e-06 4.9e-06 -3.4e-06 ] [ 5.2e-06 6.3e-06 2.3e-06 ] [ 8e-07 -2.3e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.767835882399999e-15 1.07345834478e-14 1.2817413072e-15 ] [ 4.806529901999999e-15 -8.972189150399999e-15 -2.8839179412e-15 ] [ -9.9334951308e-15 -1.21765424184e-14 -2.0828296242e-15 ] [ 3.5247885948e-15 -4.005441585e-15 5.2871828922e-15 ] [ -2.403264951e-15 7.850665506599998e-15 -5.4474005556e-15 ] [ 8.331318496799998e-15 1.00937127942e-14 3.685006258199999e-15 ] [ 1.2817413072e-15 -3.685006258199999e-15 1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }