{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.1028 0.2583089 1.436622 ] [ 0.0542075 1.282802 2.764068 ] [ 0.3917807 2.567162 0.7355983 ] [ 2.495357 1.268739 0.0869323 ] [ 2.96001 0.2024969 2.578704 ] [ 2.541972 2.542294 2.28683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1028e-10 2.583089e-11 1.436622e-10 ] [ 5.42075e-12 1.282802e-10 2.764068e-10 ] [ 3.917807e-11 2.567162e-10 7.355983000000001e-11 ] [ 2.495357e-10 1.268739e-10 8.693230000000001e-12 ] [ 2.96001e-10 2.024969e-11 2.578704e-10 ] [ 2.541972e-10 2.542294e-10 2.28683e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0037144 -3.6118204 -1.7833968 ] [ -0.9568312 2.0300242 1.4517262 ] [ 0.4675195 -0.0642498 0.3181084 ] [ 0.6445416 1.1588433 -0.62195 ] [ 0.974495 0.4217273 0.5691896 ] [ -0.1260104 0.0654754 0.0663225 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6081277456403e-09 -5.786774203408504e-09 -2.857316658569534e-09 ] [ -1.533012578692009e-09 3.252457312898224e-09 2.325921777442825e-09 ] [ 7.490488126681056e-10 -1.029395274510758e-10 5.096658413600948e-10 ] [ 1.032669482653025e-09 1.856671642430721e-09 -9.9647374930656e-10 ] [ 1.561313106086496e-09 6.756816204131078e-10 9.119422699225037e-10 ] [ -2.018909168576563e-10 1.049031551175283e-10 1.06260358933008e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.536095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.649374480832778e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0863091 -0.372426 1.6523735 ] [ 0.0097409 1.5037487 2.4913656 ] [ 1.0307126 2.84206 0.8086766 ] [ 2.1072801 0.9658856 -0.0303148 ] [ 3.1943261 0.6531802 2.0638307 ] [ 2.1177583 2.5293543 2.9028229 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0863091e-10 -3.72426e-11 1.6523735e-10 ] [ 9.740900000000001e-13 1.5037487e-10 2.4913656e-10 ] [ 1.0307126e-10 2.84206e-10 8.086766e-11 ] [ 2.1072801e-10 9.658856000000001e-11 -3.03148e-12 ] [ 3.1943261e-10 6.531802000000001e-11 2.0638307e-10 ] [ 2.1177583e-10 2.5293543e-10 2.9028229e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 2.4e-06 3.6e-06 ] [ 2.6e-06 -4e-06 -2.8e-06 ] [ -2.2e-06 2.2e-06 4e-07 ] [ -0.0 1.2e-06 -3.7e-06 ] [ 4.5e-06 -1e-06 3.7e-06 ] [ -0.0 -7e-07 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665441919999e-15 3.84522388992e-15 5.76783583488e-15 ] [ 4.16565921408e-15 -6.4087064832e-15 -4.48609453824e-15 ] [ -3.52478856576e-15 3.52478856576e-15 6.408706483200001e-16 ] [ 0.0 1.92261194496e-15 -5.928053496960001e-15 ] [ 7.2097947936e-15 -1.6021766208e-15 5.928053496960001e-15 ] [ 0.0 -1.12152363456e-15 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }