{ "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" [ [ 1.803671 2.545248 2.102248 ] [ 1.259758 2.236074 4.250707 ] [ 2.077592 4.735817 2.343172 ] [ 2.945146 3.702359 3.858992 ] [ 3.151976 1.102961 3.497539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.803671e-10 2.545248e-10 2.102248e-10 ] [ 1.259758e-10 2.236074e-10 4.250707e-10 ] [ 2.077592e-10 4.735817000000001e-10 2.343172e-10 ] [ 2.945146e-10 3.702359e-10 3.858992e-10 ] [ 3.151976e-10 1.102961e-10 3.497539e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4970865 -2.5613752 -6.6326126 ] [ -3.5756038 -1.2073689 3.6681716 ] [ -1.1915248 4.0239638 -2.9293088 ] [ 4.9405266 2.6792993 5.7856692 ] [ 2.3236886 -2.9345191 0.1080807 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.000773610415299e-09 -4.103775462536924e-09 -1.06266168425435e-08 ] [ -5.72874881360364e-09 -1.934418224261013e-09 5.877058778602529e-09 ] [ -1.909033177663396e-09 6.447100723305527e-09 -4.693270074463702e-09 ] [ 7.915596212960514e-09 4.292710698585805e-09 9.269663927922638e-09 ] [ 3.722959548939483e-09 -4.701617895311058e-09 1.731643706996986e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6863913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.11060319758052e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4620409 2.20203 2.0391668 ] [ 0.8945693 2.5503302 4.2956446 ] [ 2.3201457 4.3761858 2.3069466 ] [ 3.0332019 3.526977 4.3818931 ] [ 3.5281851 1.6669361 3.0290068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4620409e-10 2.20203e-10 2.0391668e-10 ] [ 8.945693e-11 2.5503302e-10 4.2956446e-10 ] [ 2.3201457e-10 4.3761858e-10 2.3069466e-10 ] [ 3.0332019e-10 3.526977e-10 4.3818931e-10 ] [ 3.5281851e-10 1.6669361e-10 3.0290068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.49e-05 -4.11e-05 -2.63e-05 ] [ -3.11e-05 2.28e-05 5.4e-06 ] [ -1.65e-05 3.86e-05 -6.3e-06 ] [ 3.16e-05 -1.1e-06 3.57e-05 ] [ 3.09e-05 -1.93e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.387243164992e-14 -6.584945911488e-14 -4.213724512704e-14 ] [ -4.982769290688e-14 3.652962695424e-14 8.65175375232e-15 ] [ -2.64359142432e-14 6.184401756288e-14 -1.009371271104e-14 ] [ 5.062878121728e-14 -1.76239428288e-15 5.719770536256001e-14 ] [ 4.950725758272e-14 -3.092200878144e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }