{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8373014 3.6063072 -0.4712455 ] [ 0.5781143 -0.7192162 -1.7427209 ] [ -0.6153321 -2.8367295 -0.2668603 ] [ 0.2974945 -0.9805412 0.7783348 ] [ 1.283108 0.3390767 -2.5248053 ] [ 3.7146225 2.5019409 0.1418167 ] [ -1.4207058 -1.9108379 4.0854805 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.148034640695487e-09 5.777941130865964e-09 -7.55018528977647e-10 ] [ 9.26241223241266e-10 -1.152311390434271e-09 -2.79214670556345e-09 ] [ -9.858707127701514e-10 -4.544941721878503e-09 -4.275573372022301e-10 ] [ 4.766387366435129e-10 -1.571000199314321e-09 1.247029829989063e-09 ] [ 2.055765656498472e-09 5.432607658738277e-10 -4.04518405705936e-09 ] [ 5.951481373630664e-09 4.00855124962893e-09 2.272154030509878e-10 ] [ -2.276221636548277e-09 -3.061499834741628e-09 6.545661395762637e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.49348606491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.482330135241364e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6083442 5.35348 3.068712 ] [ 5.4074617 2.6179613 1.3303436 ] [ 3.1034417 3.0301723 2.2609931 ] [ 5.7988737 2.8617909 3.6361625 ] [ 4.4754868 4.7904742 0.9213611 ] [ 5.1567258 5.1550067 3.3194337 ] [ 3.4582062 3.6504245 4.7091492 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6083442e-10 5.35348e-10 3.068712e-10 ] [ 5.4074617e-10 2.6179613e-10 1.3303436e-10 ] [ 3.1034417e-10 3.0301723e-10 2.2609931e-10 ] [ 5.7988737e-10 2.8617909e-10 3.6361625e-10 ] [ 4.4754868e-10 4.7904742e-10 9.213611000000001e-11 ] [ 5.156725800000001e-10 5.1550067e-10 3.3194337e-10 ] [ 3.4582062e-10 3.6504245e-10 4.7091492e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.52e-05 -6.08e-05 4.1e-06 ] [ -1.56e-05 -2.37e-05 -3.3e-06 ] [ 9e-07 9.64e-05 -8.16e-05 ] [ 3.48e-05 6.4e-06 4.1e-05 ] [ -3.77e-05 -3.61e-05 6.58e-05 ] [ -5.21e-05 1.67e-05 -3.56e-05 ] [ 4.5e-06 1e-06 9.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.044619165368e-13 -9.741233934719999e-14 6.568924199399999e-15 ] [ -2.49939554904e-14 -3.79715862258e-14 -5.2871828922e-15 ] [ 1.4419589706e-15 1.544498275176e-13 -1.307376133344e-13 ] [ 5.575574686319999e-14 1.02539304576e-14 6.568924199399999e-14 ] [ -6.040205910179999e-14 -5.783857648740001e-14 1.054232225172e-13 ] [ -8.347340263139999e-14 2.67563497878e-14 -5.703748817039999e-14 ] [ 7.209794853e-15 1.602176634e-15 1.55411133498e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.047526064916394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891532456271501e-18 } }