{ "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" [ [ 2.38521 1.90546 0.8111876 ] [ 1.820048 1.934055 3.373724 ] [ 3.762919 1.896883 2.504871 ] [ 3.3319 2.668439 4.803022 ] [ 3.103403 4.016922 2.717172 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.38521e-10 1.90546e-10 8.111876000000001e-11 ] [ 1.820048e-10 1.934055e-10 3.373724e-10 ] [ 3.762919e-10 1.896883e-10 2.504871e-10 ] [ 3.3319e-10 2.668439e-10 4.803022000000001e-10 ] [ 3.103403e-10 4.016922e-10 2.717172e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3833989 -1.6115121 -4.5345629 ] [ -4.3987855 -2.6358638 1.7453103 ] [ 3.4671105 -1.9878613 -1.2859115 ] [ 1.0612171 0.3174536 4.6276962 ] [ 1.2538568 5.9177836 -0.5525321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.216449374820437e-09 -2.581927010756312e-09 -7.265170663927049e-09 ] [ -7.047631288014038e-09 -4.223119355973047e-09 2.796295358701434e-09 ] [ 5.554923384830198e-09 -3.184904900253095e-09 -2.060257341717859e-09 ] [ 1.700257227213176e-09 5.086167361087949e-10 7.414386659805001e-09 ] [ 2.008900050791102e-09 9.481334530873658e-09 -8.852540128615276e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3452189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.176833799623829e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2047516 1.3148418 1.3574586 ] [ 1.2114115 1.5739289 3.4887887 ] [ 4.2478169 2.5084061 1.3761427 ] [ 2.5452163 3.0853062 4.7270674 ] [ 4.1942837 3.9392759 3.2605192 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2047516e-10 1.3148418e-10 1.3574586e-10 ] [ 1.2114115e-10 1.5739289e-10 3.4887887e-10 ] [ 4.2478169e-10 2.5084061e-10 1.3761427e-10 ] [ 2.5452163e-10 3.0853062e-10 4.727067400000001e-10 ] [ 4.1942837e-10 3.9392759e-10 3.2605192e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 1.6e-06 6e-07 ] [ 1e-06 1.4e-06 0.0 ] [ -1.9e-06 -3.2e-06 -1.3e-06 ] [ 7e-07 -1.2e-06 -1.3e-06 ] [ -1.9e-06 1.3e-06 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-15 2.56348259328e-15 9.6130597248e-16 ] [ 1.6021766208e-15 2.24304726912e-15 0.0 ] [ -3.04413557952e-15 -5.126965186560001e-15 -2.08282960704e-15 ] [ 1.12152363456e-15 -1.92261194496e-15 -2.08282960704e-15 ] [ -3.04413557952e-15 2.08282960704e-15 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }