{ "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" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4997084 -1.8920683 0.5391298 ] [ -2.8905689 3.7099009 -1.6645777 ] [ -0.7999575 0.3876623 1.2519633 ] [ 1.7335779 -2.3532153 -2.1552904 ] [ 3.456657 0.1477204 2.028775 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.402797736497375e-09 -3.031427595216801e-09 8.637811611365799e-10 ] [ -4.631201912391573e-09 5.943916487464879e-09 -2.666947474445036e-09 ] [ -1.281673204133616e-09 6.211034738255559e-10 2.005866329359616e-09 ] [ 2.777497981715561e-09 -3.770266537368858e-09 -3.453155889914681e-09 ] [ 5.538175031524665e-09 2.366741712952244e-10 3.25045587386352e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6742414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.389766677425546e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.34428 1.5279267 2.3087105 ] [ 2.6846286 4.5082972 0.858739 ] [ 2.7649186 3.7582189 3.1637868 ] [ 4.0002858 2.4714159 0.8087782 ] [ 5.118883 3.3082393 2.7914008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.34428e-10 1.5279267e-10 2.3087105e-10 ] [ 2.6846286e-10 4.5082972e-10 8.587390000000001e-11 ] [ 2.7649186e-10 3.7582189e-10 3.1637868e-10 ] [ 4.0002858e-10 2.4714159e-10 8.087782e-11 ] [ 5.118883000000001e-10 3.3082393e-10 2.7914008e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 -5.4e-06 -5.4e-06 ] [ 1.21e-05 -1.37e-05 4e-06 ] [ -2.1e-06 1.1e-05 3.3e-06 ] [ -7.7e-06 1.23e-05 8.5e-06 ] [ -8.7e-06 -4.2e-06 -1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 -8.65175375232e-15 -8.65175375232e-15 ] [ 1.938633711168e-14 -2.194981970496e-14 6.4087064832e-15 ] [ -3.36457090368e-15 1.76239428288e-14 5.28718284864e-15 ] [ -1.233675998016e-14 1.970677243584e-14 1.36185012768e-14 ] [ -1.393893660096e-14 -6.72914180736e-15 -1.666263685632e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.415273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.668710689984948e-18 } }