{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -352.9520888 409.7935249 -998.3739885 ] [ 166.3348217 -262.3753882 1096.0585192 ] [ 222.7843366 -122.3101457 -93.8553588 ] [ -1044.8144772 993.3246364 -1094.0600206 ] [ 1008.6474077 -1018.4326274 1090.2308487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.654915895968531e-07 6.565616103592771e-07 -1.599571476368084e-06 ] [ 2.664977647482961e-07 -4.203717163107192e-07 1.75607934895888e-06 ] [ 3.569398585217109e-07 -1.959624575416756e-07 -1.503728628450463e-07 ] [ -1.673977342234766e-06 1.591481522416626e-06 -1.752877401198879e-06 ] [ 1.616031308561612e-06 -1.631708958923508e-06 1.746742391453129e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 616.65492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.879901040651391e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0420952 0.9743166 0.9432639 ] [ 0.2718362 0.3500689 3.4443421 ] [ 2.085051 -0.4581671 0.2560965 ] [ 1.4625434 3.1215859 1.206751 ] [ 2.5041844 1.03468 2.3281979 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.20952e-12 9.743166e-11 9.432639000000001e-11 ] [ 2.718362e-11 3.500689e-11 3.4443421e-10 ] [ 2.085051e-10 -4.581671e-11 2.560965e-11 ] [ 1.4625434e-10 3.1215859e-10 1.206751e-10 ] [ 2.5041844e-10 1.03468e-10 2.3281979e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.57e-05 -2.61e-05 -1.07e-05 ] [ -9.7e-06 -3.6e-06 5.3e-06 ] [ -3.69e-05 6e-05 5.54e-05 ] [ -2.01e-05 2.94e-05 -1.89e-05 ] [ 1.1e-05 -5.97e-05 -3.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.924123851379999e-14 -4.18168101474e-14 -1.71432899838e-14 ] [ -1.55411133498e-14 -5.767835882399999e-15 8.4915361602e-15 ] [ -5.91203177946e-14 9.613059803999999e-14 8.876058552359998e-14 ] [ -3.22037503434e-14 4.710399303959999e-14 -3.02811383826e-14 ] [ 1.7623942974e-14 -9.56499450498e-14 -4.982769331739999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.289176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609813717431358e-18 } }