{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.026773 2.5022 1.482523 ] [ 1.327692 1.758529 3.84576 ] [ 1.586091 4.007002 3.406328 ] [ 4.160839 1.404559 1.89873 ] [ 3.792152 2.753975 4.110825 ] [ 3.943377 3.908391 2.363825 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026773e-10 2.5022e-10 1.482523e-10 ] [ 1.327692e-10 1.758529e-10 3.84576e-10 ] [ 1.586091e-10 4.007002e-10 3.406328e-10 ] [ 4.160839e-10 1.404559e-10 1.89873e-10 ] [ 3.792152e-10 2.753975e-10 4.110825e-10 ] [ 3.943377e-10 3.908391e-10 2.363825e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.637175 -0.4786261 -2.7847082 ] [ -1.8320942 -2.0680474 1.4483951 ] [ -1.9068767 2.6101813 0.8449757 ] [ 1.7384965 -2.2185361 -1.1277557 ] [ 1.6757972 -0.4900973 2.992996 ] [ 1.9618522 2.6451257 -1.373903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.62304350915824e-09 -7.668435475246829e-10 -4.46159437379005e-09 ] [ -2.93533849434328e-09 -3.313377194986226e-09 2.320584766901278e-09 ] [ -3.055153267488255e-09 4.181971454909351e-09 1.353800311684114e-09 ] [ 2.785378447642627e-09 -3.554486671820811e-09 -1.806863816513939e-09 ] [ 2.684923095042102e-09 -7.852224359772039e-10 4.795308217347917e-09 ] [ 3.143233728305046e-09 4.237958555617234e-09 -2.201235265846983e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.231553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.95971082526761e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8137713 2.4351014 -0.3734471 ] [ 0.1619271 0.2237563 4.6436823 ] [ 0.405144 5.6871733 4.0496434 ] [ 5.3648722 -0.1328685 1.3420732 ] [ 4.8875159 2.6460498 6.07592 ] [ 5.2036935 5.4754438 1.3701192 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.137713e-11 2.4351014e-10 -3.734471e-11 ] [ 1.619271e-11 2.237563e-11 4.6436823e-10 ] [ 4.05144e-11 5.687173300000001e-10 4.0496434e-10 ] [ 5.3648722e-10 -1.328685e-11 1.3420732e-10 ] [ 4.8875159e-10 2.6460498e-10 6.07592e-10 ] [ 5.2036935e-10 5.4754438e-10 1.3701192e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 -0.0 ] [ -0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.423018699623083e-34 } }