{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0536808 -5.0851959 -1.8737957 ] [ -26.3879774 -7.6398925 22.7275278 ] [ -2.2535019 7.605022 -2.5840913 ] [ 2.4501857 -11.161414 -3.4476677 ] [ 7.4052597 -9.9551573 1.3436386 ] [ 21.190893 17.6144529 -23.2615675 ] [ 2.6488216 8.6221847 7.0959559 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.096889226745842e-09 -8.147381983168015e-09 -3.002151662695571e-09 ] [ -4.227820046047878e-08 -1.224045714892527e-08 3.641351368974206e-08 ] [ -3.610508059108379e-09 1.218458844906966e-08 -4.140170666872679e-09 ] [ 3.925630245158482e-09 -1.788255656586981e-08 -5.523772585227308e-09 ] [ 1.186453396229242e-08 -1.594992028244645e-08 2.152746351724443e-09 ] [ 3.395155333847438e-08 2.822146462456276e-08 -3.726913961166111e-08 ] [ 4.24388004019005e-09 1.381426274655946e-08 1.136897464520782e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.381591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.663314238690769e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2784552 1.979223 1.9195155 ] [ 2.2253443 3.3702318 3.9290328 ] [ 1.2452195 4.035396 0.4300669 ] [ 3.8168171 1.7179652 1.7088502 ] [ 3.8453258 1.2114822 4.1824433 ] [ 3.3663793 4.2338063 1.8068019 ] [ 4.3224469 3.3533846 5.5270863 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2784552e-10 1.979223e-10 1.9195155e-10 ] [ 2.2253443e-10 3.3702318e-10 3.9290328e-10 ] [ 1.2452195e-10 4.035396000000001e-10 4.300669e-11 ] [ 3.8168171e-10 1.7179652e-10 1.7088502e-10 ] [ 3.8453258e-10 1.2114822e-10 4.1824433e-10 ] [ 3.3663793e-10 4.233806300000001e-10 1.8068019e-10 ] [ 4.3224469e-10 3.3533846e-10 5.527086299999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.31e-05 3.48e-05 -7.6e-06 ] [ 1.2e-06 -5.4e-05 9.47e-05 ] [ 7.25e-05 1.87e-05 -6.7e-06 ] [ -3.64e-05 1.44e-05 -2.39e-05 ] [ -4.5e-06 7.8e-06 -1.1e-06 ] [ -7.26e-05 -5.93e-05 -3.21e-05 ] [ -3.3e-06 3.76e-05 -2.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.905381235648e-14 5.575574640383999e-14 -1.217654231808e-14 ] [ 1.92261194496e-15 -8.65175375232e-14 1.5172612598976e-13 ] [ 1.16157805008e-13 2.996070280896e-14 -1.073458335936e-14 ] [ -5.831922899712e-14 2.307134333952e-14 -3.829202123712e-14 ] [ -7.2097947936e-15 1.249697764224e-14 -1.76239428288e-15 ] [ -1.1631802267008e-13 -9.500907361344e-14 -5.142986952768e-14 ] [ -5.28718284864e-15 6.024184094208e-14 -3.749093292672001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.039335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.691308389577917e-18 } }