{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3142934 0.7540522 2.32218 ] [ 0.538251 2.820956 1.392978 ] [ 2.532298 0.1763292 2.432177 ] [ 1.796653 2.418536 0.8624239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.142934e-11 7.540522e-11 2.32218e-10 ] [ 5.38251e-11 2.820956e-10 1.392978e-10 ] [ 2.532298e-10 1.763292e-11 2.432177e-10 ] [ 1.796653e-10 2.418536e-10 8.624239e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2712349 -0.3475691 -0.0781567 ] [ -51.178999 17.6231354 21.0800041 ] [ 0.0322762 1.9648199 -1.4779355 ] [ 51.4179577 -19.2403862 -19.523912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.345662155250259e-10 -5.568670861324973e-10 -1.252208374988793e-10 ] [ -8.199779567374658e-08 2.823537552307286e-08 3.377388973538814e-08 ] [ 5.171217304826496e-11 3.147988507862594e-09 -2.367913705150359e-09 ] [ 8.238064971622335e-08 -3.082649694480296e-08 -3.128075535295657e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.2023359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.335060952528526e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3561482 0.7969406 2.1190315 ] [ 0.1087395 3.1145223 1.6156694 ] [ 2.6659971 0.2932744 2.4299856 ] [ 2.0506106 1.9651361 0.8450725 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.561482e-11 7.969406e-11 2.1190315e-10 ] [ 1.087395e-11 3.1145223e-10 1.6156694e-10 ] [ 2.6659971e-10 2.932744e-11 2.4299856e-10 ] [ 2.0506106e-10 1.9651361e-10 8.450725e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -9.5e-06 -5e-07 ] [ 2.7e-06 5e-06 3e-06 ] [ -6.3e-06 5.8e-06 1.9e-06 ] [ 5e-07 -1.3e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 -1.52206778976e-14 -8.010883104e-16 ] [ 4.32587687616e-15 8.010883104e-15 4.8065298624e-15 ] [ -1.009371271104e-14 9.292624400640001e-15 3.04413557952e-15 ] [ 8.010883104e-16 -2.08282960704e-15 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.766829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.725036170395144e-18 } }