{ "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" [ [ -11.2511801 3.8418477 0.9849503 ] [ 2.9797237 -12.3964657 -8.5203816 ] [ -8.685511 -15.0293208 15.8463667 ] [ 1.6688117 9.2164962 -20.174657 ] [ 15.2881557 14.3674426 11.8637215 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.802637786114578e-08 6.155318616326642e-09 1.57806435631129e-09 ] [ 4.774043687916025e-09 -1.986132768872245e-08 -1.365115631228353e-08 ] [ -1.391572277854997e-08 -2.407962661065019e-08 2.538867846053569e-08 ] [ 2.673731112285818e-09 1.476645485898979e-08 -3.232336404436454e-08 ] [ 2.449432583949391e-08 2.301918082405621e-08 1.900777737958343e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.5792443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.530228316837686e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2445344 3.017027 2.1223759 ] [ 2.3730797 0.0581098 0.6390454 ] [ 1.6618048 0.988994 2.7204995 ] [ 2.1538321 2.4345781 0.542928 ] [ 2.7628195 3.2794179 2.8655775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.445344e-11 3.017027e-10 2.1223759e-10 ] [ 2.3730797e-10 5.810980000000001e-12 6.390454e-11 ] [ 1.6618048e-10 9.88994e-11 2.7204995e-10 ] [ 2.1538321e-10 2.4345781e-10 5.42928e-11 ] [ 2.7628195e-10 3.2794179e-10 2.8655775e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 -1.8e-06 3.7e-06 ] [ -1.9e-06 9e-06 4.3e-06 ] [ -0.0 3.1e-06 -9.4e-06 ] [ 2.2e-06 -1.26e-05 -4.1e-06 ] [ 3.4e-06 2.3e-06 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.9280535458e-15 -2.8839179412e-15 5.9280535458e-15 ] [ -3.0441356046e-15 1.4419589706e-14 6.8893595262e-15 ] [ 0.0 4.9667475654e-15 -1.50604603596e-14 ] [ 3.5247885948e-15 -2.01874255884e-14 -6.568924199399999e-15 ] [ 5.4474005556e-15 3.685006258199999e-15 8.811971486999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318988259117e-18 } }