{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0085879 -1.2144126 -1.5422532 ] [ -0.625764 -0.9207042 0.752153 ] [ -1.6517329 3.5979815 -1.162986 ] [ 1.4948931 0.4993831 0.1418523 ] [ 1.3280951 -1.803621 0.7159586 ] [ 0.1834658 -0.4749692 0.0868509 ] [ 1.2796308 0.3163424 1.0084244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.218112574201769e-09 -1.945703475724942e-09 -2.470962020393986e-09 ] [ -1.002584450938291e-09 -1.475130743912367e-09 1.205081951864582e-09 ] [ -2.646367836186184e-09 5.764601841370915e-09 -1.863308979517709e-09 ] [ 2.395082775415237e-09 8.000999276426285e-10 2.272724386667078e-10 ] [ 2.127842919419038e-09 -2.889719398983917e-09 1.147092130380699e-09 ] [ 2.939446154763687e-10 -7.609845478400794e-10 1.391504814754387e-10 ] [ 2.050194551015601e-09 5.068363974477619e-10 1.615673997524268e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.183681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.233782181988517e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1810188 2.2867197 1.8006909 ] [ 2.1286903 2.7480813 4.186358 ] [ 2.0984173 4.516329 2.5192113 ] [ 4.5023555 2.3705179 1.7827758 ] [ 4.2931183 1.6610787 3.9847885 ] [ 4.4192186 4.6145547 2.5059801 ] [ 4.2105501 3.8906827 4.7033435 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1810188e-10 2.2867197e-10 1.8006909e-10 ] [ 2.1286903e-10 2.7480813e-10 4.186358e-10 ] [ 2.0984173e-10 4.516329e-10 2.5192113e-10 ] [ 4.5023555e-10 2.3705179e-10 1.7827758e-10 ] [ 4.2931183e-10 1.6610787e-10 3.9847885e-10 ] [ 4.4192186e-10 4.614554700000001e-10 2.5059801e-10 ] [ 4.2105501e-10 3.8906827e-10 4.7033435e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.2e-06 2.6e-06 -3.8e-06 ] [ 7.6e-06 1.67e-05 -4.3e-05 ] [ -1.38e-05 -1e-05 -1e-07 ] [ -2.77e-05 3.4e-06 2.35e-05 ] [ 2.37e-05 4.2e-06 1.33e-05 ] [ 1.5e-06 2.4e-06 -3.2e-06 ] [ 1.49e-05 -1.93e-05 1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.93349504896e-15 4.16565921408e-15 -6.08827115904e-15 ] [ 1.217654231808e-14 2.675634956736e-14 -6.889359469439999e-14 ] [ -2.211003736704e-14 -1.6021766208e-14 -1.6021766208e-16 ] [ -4.438029239616e-14 5.44740051072e-15 3.76511505888e-14 ] [ 3.797158591296e-14 6.72914180736e-15 2.130894905664e-14 ] [ 2.4032649312e-15 3.84522388992e-15 -5.126965186560001e-15 ] [ 2.387243164992e-14 -3.092200878144e-14 2.130894905664e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }