{ "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" [ [ 2.742286 2.30018 2.898395 ] [ 1.359684 3.93311 2.87757 ] [ 2.145194 3.5026 4.929711 ] [ 3.276834 4.602113 2.280609 ] [ 3.311324 5.492688 4.465054 ] [ 4.684796 3.351118 3.565163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.742286e-10 2.30018e-10 2.898395e-10 ] [ 1.359684e-10 3.93311e-10 2.87757e-10 ] [ 2.145194e-10 3.5026e-10 4.929711e-10 ] [ 3.276834e-10 4.602113e-10 2.280609e-10 ] [ 3.311324e-10 5.492688e-10 4.465054e-10 ] [ 4.684796000000001e-10 3.351118e-10 3.565163e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9803892 -5.0392601 -0.1982785 ] [ -8.4637751 1.8817424 -0.9955183 ] [ -0.209319 -0.4157179 3.2606299 ] [ 3.9669794 3.7127038 -3.5176223 ] [ 0.551356 0.186102 0.5485634 ] [ 2.1743696 -0.3255702 0.9022258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.172933276324815e-09 -8.07378471835027e-09 -3.176771771072928e-10 ] [ -1.356046258892918e-08 3.014883679648082e-09 -1.594996145838561e-09 ] [ -3.353660080892352e-10 -6.660535002280724e-10 5.224104994861442e-09 ] [ 6.355801649875211e-09 5.948407228315319e-09 -5.635852209864724e-09 ] [ 8.833696929378048e-10 2.981682734841216e-10 8.788954545065588e-10 ] [ 3.483724138098248e-09 -5.216209628691801e-10 1.445525083442576e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.750265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.363252973360451e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8116455 2.0486496 3.4716006 ] [ 1.3716179 3.7425967 2.5568676 ] [ 1.7984516 3.6765279 4.9218894 ] [ 3.2238555 5.1580029 2.2621154 ] [ 3.6506684 5.0919626 4.6271418 ] [ 4.663879 3.4640692 3.1768873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8116455e-10 2.0486496e-10 3.4716006e-10 ] [ 1.3716179e-10 3.7425967e-10 2.5568676e-10 ] [ 1.7984516e-10 3.6765279e-10 4.921889400000001e-10 ] [ 3.2238555e-10 5.1580029e-10 2.2621154e-10 ] [ 3.6506684e-10 5.091962599999999e-10 4.627141800000001e-10 ] [ 4.663879e-10 3.4640692e-10 3.1768873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 2.9e-06 3.16e-05 ] [ 9.5e-06 -0.0 -8.5e-06 ] [ -8.3e-06 1.4e-06 -8.9e-06 ] [ 3.5e-06 6.9e-06 1.1e-05 ] [ -4.7e-06 -1.02e-05 7.7e-06 ] [ -5.6e-06 -9e-07 -3.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 4.646312200320001e-15 5.062878121728e-14 ] [ 1.52206778976e-14 0.0 -1.36185012768e-14 ] [ -1.329806595264e-14 2.24304726912e-15 -1.425937192512e-14 ] [ 5.6076181728e-15 1.105501868352e-14 1.76239428288e-14 ] [ -7.53023011776e-15 -1.634220153216e-14 1.233675998016e-14 ] [ -8.972189076479999e-15 -1.44195895872e-15 -5.271161082432e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.817009 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.014817189318319e-18 } }