{ "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" [ [ 1.875325 2.956791 1.293332 ] [ 2.112421 5.47429 1.464888 ] [ 2.056962 4.106673 3.914817 ] [ 3.228113 2.011758 3.122182 ] [ 3.602336 4.040974 2.324239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.875325e-10 2.956791e-10 1.293332e-10 ] [ 2.112421e-10 5.47429e-10 1.464888e-10 ] [ 2.056962e-10 4.106673e-10 3.914817000000001e-10 ] [ 3.228113e-10 2.011758e-10 3.122182e-10 ] [ 3.602336e-10 4.040974e-10 2.324239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8790719 -0.9943545 -1.3704655 ] [ -1.2676695 0.4599759 -0.4466046 ] [ -1.671443 0.3161782 1.8538717 ] [ -0.6822285 -2.5427115 0.9184503 ] [ 5.5004128 2.7609119 -0.9552519 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.010605066982236e-09 -1.593131532687274e-09 -2.195727783712982e-09 ] [ -2.031030435801225e-09 7.369626331114387e-10 -7.155394488617357e-10 ] [ -2.677946897599814e-09 5.065733200466266e-10 2.970229895702751e-09 ] [ -1.093050552743453e-09 -4.073872918739299e-09 1.471519598026746e-09 ] [ 8.812632792909067e-09 4.423468498268508e-09 -1.53048226115478e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.439931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.832878999176517e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6723798 2.8276509 1.1351436 ] [ 2.1072523 5.0699699 1.8174681 ] [ 1.7543008 4.132409 3.9805853 ] [ 3.0428101 2.3662251 3.030317 ] [ 4.298414 4.1942311 2.1559441 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6723798e-10 2.8276509e-10 1.1351436e-10 ] [ 2.1072523e-10 5.0699699e-10 1.8174681e-10 ] [ 1.7543008e-10 4.132409e-10 3.9805853e-10 ] [ 3.0428101e-10 2.3662251e-10 3.030317e-10 ] [ 4.298414e-10 4.1942311e-10 2.1559441e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 3e-07 3.7e-06 ] [ 3.3e-06 -1.02e-05 -0.0 ] [ 5.4e-06 -9e-07 -4.5e-06 ] [ -2.1e-06 8.9e-06 -7.7e-06 ] [ -2e-06 2e-06 8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012455680001e-15 4.8065298624e-16 5.928053496960001e-15 ] [ 5.28718284864e-15 -1.634220153216e-14 0.0 ] [ 8.65175375232e-15 -1.44195895872e-15 -7.2097947936e-15 ] [ -3.36457090368e-15 1.425937192512e-14 -1.233675998016e-14 ] [ -3.2043532416e-15 3.2043532416e-15 1.377871893888e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }