{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.366146 0.4276696 2.887206 ] [ 0.246011 2.215598 0.0331473 ] [ 1.807274 0.2501669 0.3853767 ] [ 1.505942 2.451221 2.01711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.366146e-10 4.276696e-11 2.887206e-10 ] [ 2.46011e-11 2.215598e-10 3.31473e-12 ] [ 1.807274e-10 2.501669e-11 3.853767e-11 ] [ 1.505942e-10 2.451221e-10 2.01711e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4503635 -5.4797671 3.0890959 ] [ -1.326292 0.5119941 -1.4840434 ] [ 0.6067512 -0.7719916 -0.6257245 ] [ 1.1699043 5.7397646 -0.979328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.21561876506459e-10 -8.779554807381942e-09 4.949277271165199e-09 ] [ -2.124954052261128e-09 8.203049837658594e-10 -2.377699659321916e-09 ] [ 9.721225952914608e-10 -1.236866903164274e-09 -1.002521173221333e-09 ] [ 1.874393333476126e-09 9.196116726780355e-09 -1.569056438621952e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1042387 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.138224524749853e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8178937 0.5533559 3.2539063 ] [ -0.2976043 2.4253662 0.3517449 ] [ 2.6551574 0.3267113 0.1323053 ] [ 1.7499263 2.039222 1.5848835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.178937e-11 5.533559e-11 3.2539063e-10 ] [ -2.976043e-11 2.4253662e-10 3.517449000000001e-11 ] [ 2.6551574e-10 3.267113e-11 1.323053e-11 ] [ 1.7499263e-10 2.039222e-10 1.5848835e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 0.0 7e-07 ] [ 7e-07 -4e-07 -7e-07 ] [ -6e-07 6e-07 -6e-07 ] [ -1e-07 -2e-07 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 0.0 1.1215236438e-15 ] [ 1.1215236438e-15 -6.408706536e-16 -1.1215236438e-15 ] [ -9.613059803999998e-16 9.613059803999998e-16 -9.613059803999998e-16 ] [ -1.602176634e-16 -3.204353268e-16 8.010883169999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -9.1265651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.462236935189987e-18 } }