{ "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" [ [ 0.1226517 0.1643142 2.08525 ] [ 0.897513 2.739377 0.422181 ] [ 0.4967103 2.508008 2.34433 ] [ 2.384655 1.344784 0.6822557 ] [ 2.452846 2.947826 1.504929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.226517e-11 1.643142e-11 2.08525e-10 ] [ 8.97513e-11 2.739377e-10 4.22181e-11 ] [ 4.967103e-11 2.508008e-10 2.34433e-10 ] [ 2.384655e-10 1.344784e-10 6.822557000000001e-11 ] [ 2.452846e-10 2.947826e-10 1.504929e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1747725 -1.7387715 0.6945914 ] [ -18.7530754 14.9609655 -4.055751 ] [ -18.6924956 0.2069517 8.2807185 ] [ 20.0168619 -2.220243 6.5361705 ] [ 17.6034816 -11.2089028 -11.4557294 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.80016413458768e-10 -2.785819046213347e-09 1.112858102088741e-09 ] [ -3.004573897397961e-08 2.397010914869538e-08 -6.498029431986221e-09 ] [ -2.994867943472687e-08 3.315731753748153e-10 1.326717358412605e-08 ] [ 3.207054815796227e-08 -3.557221427094855e-09 1.047209956466265e-08 ] [ 2.820388666420298e-08 -1.795864201097966e-08 -1.835410181889121e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.1460634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.040549227034559e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7161713 0.3926468 2.229199 ] [ 0.7681973 3.6535686 0.9680887 ] [ -0.4399987 2.2070293 2.0254071 ] [ 2.6389209 0.7178546 1.2978293 ] [ 2.6710852 2.7332099 0.5184216 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.161712999999999e-11 3.926468e-11 2.229199e-10 ] [ 7.681973e-11 3.6535686e-10 9.680887000000001e-11 ] [ -4.399987000000001e-11 2.2070293e-10 2.0254071e-10 ] [ 2.6389209e-10 7.178546000000001e-11 1.2978293e-10 ] [ 2.6710852e-10 2.7332099e-10 5.184216e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.73e-05 -6.4e-06 1.47e-05 ] [ 6.1e-06 1.94e-05 -7.4e-06 ] [ -1.33e-05 -1.91e-05 1.08e-05 ] [ 2.02e-05 -2.7e-05 2.6e-06 ] [ 1.44e-05 3.31e-05 -2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.373942174784e-14 -1.025393037312e-14 2.355199632576e-14 ] [ 9.77327738688e-15 3.108222644352e-14 -1.185610699392e-14 ] [ -2.130894905664e-14 -3.060157345728e-14 1.730350750464e-14 ] [ 3.236396774016e-14 -4.32587687616e-14 4.16565921408e-15 ] [ 2.307134333952e-14 5.303204614848e-14 -3.316505605055999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.012367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.924593356786943e-18 } }