{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9393133 -1.9386582 -0.364836 ] [ -2.7176839 -0.1869421 0.7733127 ] [ -2.3750827 -2.5325228 -0.2911268 ] [ 1.1857856 -0.1388372 0.6500001 ] [ 0.811741 -1.1713212 0.0036373 ] [ 4.3715711 2.082469 -0.5101287 ] [ 1.6629823 3.8858125 -0.2608585 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.709299050466496e-09 -3.106072843762211e-09 -5.845317096261888e-10 ] [ -4.354209607304565e-09 -2.995142620632557e-10 1.238983528507724e-09 ] [ -3.805301974406541e-09 -4.057548821802955e-09 -4.664365526483175e-10 ] [ 1.899837965601301e-09 -2.224417159373337e-10 1.041414963737662e-09 ] [ 1.300552452344813e-09 -1.876663442087401e-09 5.82759702283584e-12 ] [ 7.004029012584939e-09 3.336483145340755e-09 -8.17316276739097e-10 ] [ 2.664391361864212e-09 6.2257579403124e-09 -4.179413900369568e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.192282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.074942552020067e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3590349 2.282838 0.7001 ] [ 1.8415368 4.600726 0.7162422 ] [ 2.1522897 3.4385816 2.8344471 ] [ 4.6512744 2.7960251 0.8103431 ] [ 4.4626276 2.7354075 3.1535464 ] [ 4.1347032 5.1097602 0.8264632 ] [ 3.9451284 5.0532855 3.1696968 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3590349e-10 2.282838e-10 7.001e-11 ] [ 1.8415368e-10 4.600726e-10 7.162422000000001e-11 ] [ 2.1522897e-10 3.4385816e-10 2.8344471e-10 ] [ 4.6512744e-10 2.7960251e-10 8.103431e-11 ] [ 4.462627600000001e-10 2.7354075e-10 3.1535464e-10 ] [ 4.1347032e-10 5.109760200000001e-10 8.264632e-11 ] [ 3.945128400000001e-10 5.0532855e-10 3.1696968e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 3.98e-05 -5.5e-06 ] [ 1.1e-05 -4.03e-05 1.63e-05 ] [ 3e-06 4.2e-06 1.9e-06 ] [ 7.3e-06 -1.67e-05 -2.5e-05 ] [ -3.4e-06 -4.84e-05 2.43e-05 ] [ -4.2e-06 1.5e-05 -1.21e-05 ] [ -1.41e-05 4.64e-05 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-16 6.376662950784e-14 -8.8119714144e-15 ] [ 1.76239428288e-14 -6.456771781824e-14 2.611547891904e-14 ] [ 4.8065298624e-15 6.72914180736e-15 3.04413557952e-15 ] [ 1.169588933184e-14 -2.675634956736e-14 -4.005441552e-14 ] [ -5.44740051072e-15 -7.754534844671999e-14 3.893289188544e-14 ] [ -6.72914180736e-15 2.4032649312e-14 -1.938633711168e-14 ] [ -2.259069035328e-14 7.434099520512001e-14 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }