{ "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" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2710698 -7.6728953 -6.5497741 ] [ -6.8235281 -0.3202219 -1.3628283 ] [ 1.6567037 0.9754407 8.8205283 ] [ -4.7041631 8.4051091 9.707212 ] [ 3.1774906 -2.4607592 -0.1061106 ] [ 5.422427 1.0733266 -10.5090273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.036478333743053e-09 -1.229333356478842e-08 -1.049389502099838e-08 ] [ -1.093249728326241e-08 -5.130520458750845e-10 -2.183491658413942e-09 ] [ 2.654331957601345e-09 1.562828297392604e-09 1.413204434179574e-08 ] [ -7.536900201345003e-09 1.346646940624077e-08 1.555266824768441e-08 ] [ 5.09090119407464e-09 -3.942570892140532e-09 -1.700079239397204e-10 ] [ 8.687685838970716e-09 1.719658799170664e-09 -1.683731798612811e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.428104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830984119972193e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3832604 0.108955 2.4831068 ] [ 0.6018355 1.8126641 3.0661745 ] [ 2.5790177 1.4397956 4.7512016 ] [ 2.1221636 3.71954 3.6818249 ] [ 4.4490685 1.4275192 3.0160012 ] [ 3.3956608 3.1738712 1.6451851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3832604e-10 1.08955e-11 2.4831068e-10 ] [ 6.018355e-11 1.8126641e-10 3.0661745e-10 ] [ 2.5790177e-10 1.4397956e-10 4.7512016e-10 ] [ 2.1221636e-10 3.71954e-10 3.6818249e-10 ] [ 4.4490685e-10 1.4275192e-10 3.0160012e-10 ] [ 3.3956608e-10 3.1738712e-10 1.6451851e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.62e-05 4.66e-05 -1.1e-06 ] [ -8.6e-06 -7.4e-06 8.3e-06 ] [ 5e-07 -4.9e-06 2.1e-06 ] [ -1.48e-05 9e-07 6e-06 ] [ -2.1e-06 -1.87e-05 1.4e-06 ] [ 8.8e-06 -1.64e-05 -1.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.59552614708e-14 7.466143114439999e-14 -1.7623942974e-15 ] [ -1.37787190524e-14 -1.18561070916e-14 1.32980660622e-14 ] [ 8.010883169999999e-16 -7.850665506599998e-15 3.364570931399999e-15 ] [ -2.37122141832e-14 1.4419589706e-15 9.613059803999999e-15 ] [ -3.364570931399999e-15 -2.99607030558e-14 2.2430472876e-15 ] [ 1.40991543792e-14 -2.62756967976e-14 -2.691656745119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.642267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.506167469018928e-18 } }