{ "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" [ [ 2.079295 2.566064 0.7389026 ] [ 2.731821 0.8253972 1.952601 ] [ 1.402373 2.394344 3.393524 ] [ 2.931703 3.951911 3.265612 ] [ 3.743563 1.858686 3.844421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.079295e-10 2.566064e-10 7.389026e-11 ] [ 2.731821e-10 8.253972000000001e-11 1.952601e-10 ] [ 1.402373e-10 2.394344e-10 3.393524e-10 ] [ 2.931703e-10 3.951911e-10 3.265612e-10 ] [ 3.743563e-10 1.858686e-10 3.844421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0690897 1.3254085 -0.7477699 ] [ 0.7565506 -2.8245112 -0.211287 ] [ -4.7497615 -1.5833375 -0.5210271 ] [ 2.1690489 4.8045991 -0.1193894 ] [ 2.8932518 -1.7221589 1.5994735 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.712870536990069e-09 2.123538529204989e-09 -1.198059461388516e-09 ] [ 1.21212769375868e-09 -4.5253658471113e-09 -3.38519094467958e-10 ] [ -7.60995689237279e-09 -2.536786346235975e-09 -8.347774453007813e-10 ] [ 3.475199465583402e-09 7.697816413757428e-09 -1.912829070272796e-10 ] [ 4.63550043023844e-09 -2.759202749615142e-09 2.562639068402199e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4134418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.34798198634789e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4348643 1.8446343 1.0982531 ] [ 3.3259702 0.6930967 1.8016929 ] [ 1.1231916 3.6521182 2.5240893 ] [ 2.8216671 3.6176631 4.1087477 ] [ 4.1830618 1.7888899 3.6622776 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4348643e-10 1.8446343e-10 1.0982531e-10 ] [ 3.3259702e-10 6.930967000000001e-11 1.8016929e-10 ] [ 1.1231916e-10 3.6521182e-10 2.5240893e-10 ] [ 2.8216671e-10 3.6176631e-10 4.108747700000001e-10 ] [ 4.1830618e-10 1.7888899e-10 3.6622776e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 1.2e-06 3e-06 ] [ -2.9e-06 -1.4e-06 -4.9e-06 ] [ -1e-07 -5e-07 4.6e-06 ] [ -7.5e-06 7.2e-06 -6e-06 ] [ 5.8e-06 -6.5e-06 3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.530230179799999e-15 1.9226119608e-15 4.806529901999999e-15 ] [ -4.6463122386e-15 -2.2430472876e-15 -7.850665506599998e-15 ] [ -1.602176634e-16 -8.010883169999999e-16 7.370012516399999e-15 ] [ -1.2016324755e-14 1.15356717648e-14 -9.613059803999999e-15 ] [ 9.2926244772e-15 -1.0414148121e-14 5.2871828922e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }