{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.082562 -7.6195577 8.2832273 ] [ 0.0750055 11.7809228 -6.3819844 ] [ -12.868222 -0.9091938 -8.8987575 ] [ -1.187147 13.2754224 10.4052429 ] [ 7.3167249 -13.8783804 -10.1444565 ] [ 5.2749275 0.8060791 -0.3017555 ] [ 8.4712731 -3.4552924 7.0384839 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.134751525176649e-08 -1.220787720777662e-08 1.327119312483231e-08 ] [ 1.201720585314144e-10 1.887511908160968e-08 -1.022506619999032e-08 ] [ -2.061716443966422e-08 -1.456689050136311e-09 -1.425738122066866e-08 ] [ -1.902019168852857e-09 2.126957140052463e-08 1.667103690812519e-08 ] [ 1.172268557560522e-08 -2.223561661144895e-08 -1.62532110350226e-08 ] [ 8.451365516914993e-09 1.291481088535506e-09 -4.834656072978144e-10 ] [ 1.357247570923194e-08 -5.535988701307922e-09 1.127689435045721e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8335987 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.255080869386927e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4597172 3.3006468 3.4879925 ] [ 2.6366204 5.672586 1.379621 ] [ 1.3294341 3.6218199 1.1164787 ] [ 2.3101142 5.749955 3.7595182 ] [ 3.3299717 2.5305036 0.3751188 ] [ 4.5855942 4.2035729 1.5443044 ] [ 3.9829471 3.7514487 3.8195194 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4597172e-10 3.3006468e-10 3.4879925e-10 ] [ 2.6366204e-10 5.672586e-10 1.379621e-10 ] [ 1.3294341e-10 3.6218199e-10 1.1164787e-10 ] [ 2.3101142e-10 5.749955e-10 3.7595182e-10 ] [ 3.3299717e-10 2.5305036e-10 3.751188e-11 ] [ 4.5855942e-10 4.2035729e-10 1.5443044e-10 ] [ 3.9829471e-10 3.7514487e-10 3.8195194e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.05e-05 -7.6e-06 1.5e-06 ] [ 3.1e-06 -1.7e-06 2.83e-05 ] [ 3.3e-05 8.1e-06 -5.9e-06 ] [ -8.9e-06 2.55e-05 5.2e-06 ] [ 8.1e-06 -4.5e-06 1.67e-05 ] [ -3.13e-05 -1.55e-05 -2.34e-05 ] [ -2.45e-05 -4.4e-06 -2.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.28446207264e-14 -1.217654231808e-14 2.4032649312e-15 ] [ 4.96674752448e-15 -2.72370025536e-15 4.534159836864e-14 ] [ 5.28718284864e-14 1.297763062848e-14 -9.45284206272e-15 ] [ -1.425937192512e-14 4.08555038304e-14 8.33131842816e-15 ] [ 1.297763062848e-14 -7.2097947936e-15 2.675634956736e-14 ] [ -5.014812823104e-14 -2.48337376224e-14 -3.749093292672001e-14 ] [ -3.92533272096e-14 -7.04957713152e-15 -3.572853864384e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }