{ "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" [ [ 0.4656555 2.854978 2.130075 ] [ 2.415045 0.7163998 1.216409 ] [ 1.531563 1.029003 2.475027 ] [ 2.019704 2.428405 0.6522284 ] [ 2.764103 2.749341 2.416687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.656555e-11 2.854978e-10 2.130075e-10 ] [ 2.415045e-10 7.163998000000001e-11 1.216409e-10 ] [ 1.531563e-10 1.029003e-10 2.475027e-10 ] [ 2.019704e-10 2.428405e-10 6.522284e-11 ] [ 2.764103e-10 2.749341e-10 2.416687e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0289523 2.5180288 0.7940207 ] [ 23.5940844 -19.5088629 -26.4730262 ] [ -21.550805 2.6081033 30.9998376 ] [ -4.395915 10.2195942 -13.2197153 ] [ 5.3815879 4.1631367 7.8988832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.852916600560558e-09 4.034326907099059e-09 1.272161412452324e-09 ] [ 3.780189072630391e-08 -3.125664429428948e-08 -4.241446400890981e-08 ] [ -3.452819621489037e-08 4.178642166318291e-09 4.966721546051463e-08 ] [ -7.043032298050109e-09 1.637359503620192e-08 -2.11803189617923e-08 ] [ 8.622254387197128e-09 6.670080344887868e-09 1.265540609773515e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.99347053 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.591715269733596e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4655684 2.9503334 2.1213848 ] [ 2.7265379 0.6339506 1.0998274 ] [ 1.2687357 0.8631419 2.9926782 ] [ 1.9233758 2.7211462 0.2285384 ] [ 2.8118527 2.6095546 2.4479976 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.655684e-11 2.9503334e-10 2.1213848e-10 ] [ 2.7265379e-10 6.339506e-11 1.0998274e-10 ] [ 1.2687357e-10 8.631419e-11 2.9926782e-10 ] [ 1.9233758e-10 2.7211462e-10 2.285384e-11 ] [ 2.8118527e-10 2.6095546e-10 2.4479976e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 2.7e-06 3.2e-06 ] [ 2.3e-06 -1e-07 1.4e-06 ] [ -1.4e-06 -1.5e-06 -3.1e-06 ] [ -1.8e-06 -2.2e-06 -3.1e-06 ] [ -1e-07 1.1e-06 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-15 4.3258769118e-15 5.1269652288e-15 ] [ 3.685006258199999e-15 -1.602176634e-16 2.2430472876e-15 ] [ -2.2430472876e-15 -2.403264951e-15 -4.9667475654e-15 ] [ -2.8839179412e-15 -3.5247885948e-15 -4.9667475654e-15 ] [ -1.602176634e-16 1.7623942974e-15 2.5634826144e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }