{ "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" [ [ -16.9922793 10.5057987 3.565031 ] [ 14.8581978 -26.2026126 -17.3167763 ] [ -15.4990091 -17.5128259 26.3838881 ] [ -0.1029901 15.9709127 -28.1870444 ] [ 17.7360808 17.2387271 15.5549015 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.722463262856379e-08 1.683214505997103e-08 5.711809320627245e-09 ] [ 2.380545714238199e-08 -4.19812133115995e-08 -2.774453413548353e-08 ] [ -2.483215002558645e-08 -2.805864022112072e-08 4.227164867962333e-08 ] [ -1.650083303938541e-10 2.55882229407778e-08 -4.516062354713157e-08 ] [ 2.841633400237976e-08 2.761948553197138e-08 2.492169952214685e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.233297 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.799772582790278e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3865116 2.9475581 2.1003348 ] [ 2.7256207 0.5776978 1.0613449 ] [ 1.2185393 0.8071504 3.0003297 ] [ 1.8936392 2.718135 0.1613812 ] [ 2.9717597 2.7275856 2.5670357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.865116e-11 2.9475581e-10 2.1003348e-10 ] [ 2.7256207e-10 5.776978000000001e-11 1.0613449e-10 ] [ 1.2185393e-10 8.071504000000001e-11 3.0003297e-10 ] [ 1.8936392e-10 2.718135e-10 1.613812e-11 ] [ 2.9717597e-10 2.7275856e-10 2.5670357e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 2.7e-06 -2.3e-06 ] [ 5.8e-06 -7e-06 -3e-07 ] [ -1.08e-05 -8.1e-06 -3e-06 ] [ -1.24e-05 -1e-07 -3.5e-06 ] [ 1.43e-05 1.25e-05 9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 4.32587687616e-15 -3.68500622784e-15 ] [ 9.292624400640001e-15 -1.12152363456e-14 -4.8065298624e-16 ] [ -1.730350750464e-14 -1.297763062848e-14 -4.8065298624e-15 ] [ -1.986699009792e-14 -1.6021766208e-16 -5.6076181728e-15 ] [ 2.291112567744e-14 2.002720776e-14 1.457980724928e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }