{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1860509 3.95381 2.613527 ] [ 1.567846 3.644648 0.7971861 ] [ 2.293743 3.741388 3.176886 ] [ 3.786148 2.787453 1.709706 ] [ 5.865671 2.396852 2.649651 ] [ 3.786965 2.496542 4.574471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.860509e-11 3.95381e-10 2.613527e-10 ] [ 1.567846e-10 3.644648e-10 7.971861000000001e-11 ] [ 2.293743e-10 3.741388e-10 3.176886e-10 ] [ 3.786148e-10 2.787453e-10 1.709706e-10 ] [ 5.865671e-10 2.396852e-10 2.649651e-10 ] [ 3.786965e-10 2.496542e-10 4.574471e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1248483 0.0557764 -0.1132119 ] [ 0.2019922 -0.0935921 -0.843133 ] [ 1.9067644 0.3997217 1.292778 ] [ -0.1594709 -0.2173911 -0.6052028 ] [ -0.3430155 0.0417164 0.7250579 ] [ 0.5185782 -0.1862314 -0.4562881 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.404382269006625e-09 8.936364407238911e-11 -1.813854593763475e-10 ] [ 3.236271804239578e-10 -1.499510745115757e-10 -1.350847980824966e-09 ] [ 3.054973343053739e-09 6.404247625664314e-10 2.071258687484583e-09 ] [ -2.555005476779347e-10 -3.482989379899949e-10 -9.696417770026983e-10 ] [ -5.495714146720224e-10 6.683704078394113e-11 1.161670816106344e-09 ] [ 8.308538680965465e-10 -2.983755951388531e-10 -7.310541261692524e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9619169304906805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.949867300383867e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1730483 3.1239518 3.0671663 ] [ 2.2402466 2.5940751 1.0124866 ] [ 2.8573343 4.7082534 3.5334653 ] [ 3.9244431 4.1784937 1.4787096 ] [ 4.1793043 1.9430988 2.1874551 ] [ 3.1120473 2.4728202 4.2421442 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1730483e-10 3.1239518e-10 3.0671663e-10 ] [ 2.2402466e-10 2.5940751e-10 1.0124866e-10 ] [ 2.8573343e-10 4.7082534e-10 3.5334653e-10 ] [ 3.9244431e-10 4.1784937e-10 1.4787096e-10 ] [ 4.1793043e-10 1.9430988e-10 2.1874551e-10 ] [ 3.1120473e-10 2.4728202e-10 4.2421442e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 2e-07 -2.2e-06 ] [ 2e-07 1e-07 1.5e-06 ] [ -2.3e-06 -1.1e-06 2.2e-06 ] [ 2.5e-06 -0.0 -1.7e-06 ] [ -2.5e-06 -2e-07 -2e-07 ] [ 3.5e-06 1.1e-06 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 3.2043532416e-16 -3.52478856576e-15 ] [ 3.2043532416e-16 1.6021766208e-16 2.4032649312e-15 ] [ -3.68500622784e-15 -1.76239428288e-15 3.52478856576e-15 ] [ 4.005441552e-15 0.0 -2.72370025536e-15 ] [ -4.005441552e-15 -3.2043532416e-16 -3.2043532416e-16 ] [ 5.6076181728e-15 1.76239428288e-15 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.47026993049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.196869183369741e-18 } }