{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.048051 1.0551582 -0.1089588 ] [ 0.6572275 -0.3117165 -0.0346953 ] [ 0.9933293 -2.110714 0.6219719 ] [ 0.0492338 0.7099593 -1.0098976 ] [ -0.6517397 0.657313 0.5315799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.679162823440334e-09 1.690549813213499e-09 -1.745712434286792e-10 ] [ 1.052994543722235e-09 -4.99424892732261e-10 -5.558799896962019e-11 ] [ 1.591488994327576e-09 -3.381736651856676e-09 9.965088451845846e-10 ] [ 7.88812439630292e-11 1.137480201550996e-09 -1.618034337452678e-09 ] [ -1.04420211879017e-09 1.053131529824442e-09 8.516848948840566e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.720368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.038027638548131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8552803 2.1057983 -0.0124322 ] [ 0.2884771 2.3253246 2.3094507 ] [ 2.4918602 0.4408542 0.5444932 ] [ 1.9250558 0.6603793 2.8663768 ] [ 2.5584047 2.5886867 1.5981698 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.552803e-11 2.1057983e-10 -1.24322e-12 ] [ 2.884771e-11 2.3253246e-10 2.3094507e-10 ] [ 2.4918602e-10 4.408542e-11 5.444932e-11 ] [ 1.9250558e-10 6.603793e-11 2.8663768e-10 ] [ 2.5584047e-10 2.5886867e-10 1.5981698e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 6e-07 6e-07 ] [ 2.2e-06 -1.3e-06 -5e-07 ] [ -2e-06 1e-07 2.6e-06 ] [ 5e-07 1e-07 -2.1e-06 ] [ -2.5e-06 5e-07 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.8839179412e-15 9.613059803999998e-16 9.613059803999998e-16 ] [ 3.5247885948e-15 -2.0828296242e-15 -8.010883169999999e-16 ] [ -3.204353268e-15 1.602176634e-16 4.165659248399999e-15 ] [ 8.010883169999999e-16 1.602176634e-16 -3.364570931399999e-15 ] [ -4.005441585e-15 8.010883169999999e-16 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }