{ "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" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9567024 -4.2641627 -2.9225098 ] [ -37.7000178 -9.6775892 -11.0315576 ] [ 4.185549 -3.9107645 -6.0411746 ] [ 7.9065854 0.796061 7.4169173 ] [ 21.4236471 10.9761897 -55.7878193 ] [ 15.1409388 6.0802656 68.3661439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.755457242634325e-08 -6.831941785227405e-09 -4.682376875618883e-09 ] [ -6.040208712290386e-08 -1.550520716194658e-08 -1.767450367772856e-08 ] [ 6.70598875301282e-09 -6.265735451354601e-09 -9.679028706290792e-09 ] [ 1.266774627823862e-08 1.275430322930669e-09 1.188321149646706e-08 ] [ 3.432446651588972e-08 1.758579452280576e-08 -8.938193980787503e-08 ] [ 2.425845816232361e-08 9.741659392574483e-09 1.095346374108285e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 6.6545235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.066172197426419e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7689802 0.161856 1.475344 ] [ 0.3807821 2.4556216 1.1453425 ] [ 2.9333627 0.3808972 0.4519122 ] [ 2.689753 0.6810984 2.8247641 ] [ 2.5451294 2.6746469 0.1218352 ] [ 2.3016083 2.9748643 2.4946959 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.689802000000001e-11 1.61856e-11 1.475344e-10 ] [ 3.807821e-11 2.4556216e-10 1.1453425e-10 ] [ 2.9333627e-10 3.808972e-11 4.519122e-11 ] [ 2.689753e-10 6.810984e-11 2.8247641e-10 ] [ 2.5451294e-10 2.6746469e-10 1.218352e-11 ] [ 2.3016083e-10 2.9748643e-10 2.4946959e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.69e-05 4e-07 1.55e-05 ] [ 3.3e-05 2.53e-05 -3.52e-05 ] [ -4.5e-05 -2.5e-05 -6.27e-05 ] [ 4.89e-05 4.9e-06 5.42e-05 ] [ 9.6e-06 1.3e-06 -6.6e-06 ] [ -6.33e-05 -7e-06 3.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.707678489152e-14 6.408706483200001e-16 2.48337376224e-14 ] [ 5.28718284864e-14 4.053506850624e-14 -5.639661705216e-14 ] [ -7.209794793600001e-14 -4.005441552e-14 -1.0045647412416e-13 ] [ 7.834643675712001e-14 7.850665441919999e-15 8.683797284736e-14 ] [ 1.538089555968e-14 2.08282960704e-15 -1.057436569728e-14 ] [ -1.0141778009664e-13 -1.12152363456e-14 5.575574640383999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.816992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.014814465618063e-18 } }