{ "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" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.792712 -8.9349183 2.3602111 ] [ -2.7865482 3.9290695 -8.2643813 ] [ 2.7414187 7.0334991 8.1905724 ] [ 2.082792 -2.3544806 -1.7395766 ] [ 0.7550494 0.3268303 -0.5468257 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.474417875027609e-09 -1.431531720901808e-08 3.781475044572651e-09 ] [ -4.464542378772323e-09 6.295063294398346e-09 -1.324099850423671e-08 ] [ 4.392236948963929e-09 1.126890782043784e-08 1.312274361024975e-08 ] [ 3.337000648389274e-09 -3.772293771447157e-09 -2.787108958610753e-09 ] [ 1.209722496229068e-09 5.236398656290503e-10 -8.761113521925945e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0070406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.624340009516404e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4463536 0.34895 2.2255294 ] [ 0.1560709 2.52203 1.1605159 ] [ 0.6683634 2.388498 3.537475 ] [ 2.4331008 0.110862 1.0864457 ] [ 2.1544641 2.1968416 0.0641466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.463536e-11 3.4895e-11 2.2255294e-10 ] [ 1.560709e-11 2.52203e-10 1.1605159e-10 ] [ 6.683634e-11 2.388498e-10 3.537475e-10 ] [ 2.4331008e-10 1.10862e-11 1.0864457e-10 ] [ 2.1544641e-10 2.1968416e-10 6.41466e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.34e-05 7.6e-06 1e-06 ] [ -1.49e-05 -3.08e-05 1.76e-05 ] [ 3.67e-05 -1.59e-05 -3.36e-05 ] [ -2e-07 3.83e-05 1.47e-05 ] [ 2.18e-05 7e-07 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.953446534272e-14 1.217654231808e-14 1.6021766208e-15 ] [ -2.387243164992e-14 -4.934703992064001e-14 2.819830852608e-14 ] [ 5.879988198335999e-14 -2.547460827072e-14 -5.383313445888e-14 ] [ -3.2043532416e-16 6.136336457664001e-14 2.355199632576e-14 ] [ 3.492745033344e-14 1.12152363456e-15 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.457994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.675555348726667e-18 } }