{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5612734 -4.0313949 -1.8046847 ] [ -0.5398035 5.1491899 -1.2215557 ] [ -6.0375902 -0.4058425 -5.1176098 ] [ 0.8095119 6.2012261 2.9524181 ] [ -2.3774471 -5.4225692 3.6313798 ] [ 1.0568199 -1.6268535 3.1412129 ] [ 3.5272356 0.1362441 -1.5811607 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.705789028765736e-09 -6.459006711206765e-09 -2.891423658077299e-09 ] [ -8.648605546514189e-10 8.249911741808795e-09 -1.957147999669513e-09 ] [ -9.673285944107386e-09 -6.50231370584145e-10 -8.199314843489412e-09 ] [ 1.296981051124944e-09 9.935459559570947e-09 4.730295293618674e-09 ] [ -3.809090192191061e-09 -8.687913668488072e-09 5.818111864739592e-09 ] [ 1.693212150126216e-09 -2.606506664641119e-09 5.032777910799378e-09 ] [ 5.65125446093297e-09 2.182871135403594e-10 -2.533298728139084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.213775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.398821462393335e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6499057 2.8771409 3.4007119 ] [ 2.7538668 5.4154603 0.5979212 ] [ 0.8534724 4.2081341 1.5242035 ] [ 2.5280513 5.2725027 3.1477207 ] [ 3.081775 2.9647914 1.2758656 ] [ 4.7248064 4.8306354 1.901955 ] [ 4.0425214 3.2618682 3.6341752 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6499057e-10 2.8771409e-10 3.4007119e-10 ] [ 2.7538668e-10 5.415460300000001e-10 5.979212e-11 ] [ 8.534724e-11 4.2081341e-10 1.5242035e-10 ] [ 2.5280513e-10 5.272502700000001e-10 3.1477207e-10 ] [ 3.081775e-10 2.9647914e-10 1.2758656e-10 ] [ 4.724806400000001e-10 4.8306354e-10 1.901955e-10 ] [ 4.0425214e-10 3.2618682e-10 3.6341752e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.57e-05 -1.9e-05 1.28e-05 ] [ -7e-06 -2.8e-06 -5.5e-06 ] [ -1.43e-05 1.4e-06 -1.12e-05 ] [ 2.14e-05 8e-06 -2.9e-06 ] [ 2.05e-05 2.32e-05 1.09e-05 ] [ -7e-06 -9.5e-06 2.7e-06 ] [ 2e-06 -1.3e-06 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.515417315379999e-14 -3.0441356046e-14 2.05078609152e-14 ] [ -1.1215236438e-14 -4.486094575199999e-15 -8.811971486999999e-15 ] [ -2.29111258662e-14 2.2430472876e-15 -1.79443783008e-14 ] [ 3.42865799676e-14 1.2817413072e-14 -4.6463122386e-15 ] [ 3.2844620997e-14 3.71704979088e-14 1.74637253106e-14 ] [ -1.1215236438e-14 -1.5220678023e-14 4.3258769118e-15 ] [ 3.204353268e-15 -2.0828296242e-15 -1.07345834478e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }