{ "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" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8974248 -0.7040518 -2.3880482 ] [ -22.2982729 -25.3266323 -4.9474685 ] [ 29.9896476 0.645502 -22.1731839 ] [ -27.3938166 16.7569854 -18.5793955 ] [ 17.8050171 8.6281967 48.0880961 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.040009654286116e-09 -1.128015333792157e-09 -3.826074995383523e-09 ] [ -3.572577152459822e-08 -4.057773815465813e-08 -7.926718362844445e-09 ] [ 4.804871225075083e-08 1.034208213079642e-09 -3.552535685327897e-08 ] [ -4.388973251100295e-08 2.684765024296694e-08 -2.976747309869673e-08 ] [ 2.852678213056422e-08 1.382389503240371e-08 7.704562331020366e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.349843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.978662972515053e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0173582 3.4161221 2.5531267 ] [ 2.4664869 -0.6170046 1.7763657 ] [ 2.8307955 1.4393189 0.416187 ] [ 1.3585702 3.2989775 0.2248959 ] [ 2.455792 1.5680649 2.9749645 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0173582e-10 3.4161221e-10 2.5531267e-10 ] [ 2.4664869e-10 -6.170046e-11 1.7763657e-10 ] [ 2.8307955e-10 1.4393189e-10 4.16187e-11 ] [ 1.3585702e-10 3.2989775e-10 2.248959e-11 ] [ 2.455792e-10 1.5680649e-10 2.9749645e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-06 9.5e-06 4e-07 ] [ -5e-07 3.4e-06 5.4e-06 ] [ -7.2e-06 1.24e-05 -9.2e-06 ] [ 9.3e-06 -1.03e-05 -8e-07 ] [ 6.9e-06 -1.49e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.36185012768e-14 1.52206778976e-14 6.408706483200001e-16 ] [ -8.010883104e-16 5.44740051072e-15 8.65175375232e-15 ] [ -1.153567166976e-14 1.986699009792e-14 -1.474002491136e-14 ] [ 1.490024257344e-14 -1.650241919424e-14 -1.28174129664e-15 ] [ 1.105501868352e-14 -2.387243164992e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726376078172e-18 } }