{ "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" [ [ 0.223645 0.1945873 1.126976 ] [ 0.7288277 2.388611 0.0814776 ] [ 2.404153 0.5300895 0.5572584 ] [ 2.145602 0.6403931 2.690423 ] [ 2.26761 2.998114 1.480003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.23645e-11 1.945873e-11 1.126976e-10 ] [ 7.288277e-11 2.388611e-10 8.14776e-12 ] [ 2.404153e-10 5.300895e-11 5.572584000000001e-11 ] [ 2.145602e-10 6.403931000000001e-11 2.690423e-10 ] [ 2.26761e-10 2.998114e-10 1.480003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8062769 3.1328217 0.6220866 ] [ 0.0006469 -5.5701411 0.6929894 ] [ -0.8150425 3.1993775 -2.8695863 ] [ -2.3050326 1.8267709 -0.4356628 ] [ 1.3131513 -2.588829 1.990173 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.893974643713954e-09 5.019333726228157e-09 9.966926148445043e-10 ] [ 1.0364480645346e-12 -8.924349918503058e-09 1.110291424289679e-09 ] [ -1.305842049216945e-09 5.125967873845335e-09 -4.597584119106514e-09 ] [ -3.693069372328268e-09 2.926809651651151e-09 -6.980087584630151e-10 ] [ 2.103900329766724e-09 -4.147761333221585e-09 3.188608678217682e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.581313046368852 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.535095588593153e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3004974 0.7259735 1.4677744 ] [ 0.8320825 2.1495275 -0.239807 ] [ 2.4950876 0.6890156 0.3486085 ] [ 2.2654725 0.5584857 2.6235135 ] [ 1.8766976 2.6287927 1.7360486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.004974e-11 7.259735000000001e-11 1.4677744e-10 ] [ 8.320825e-11 2.1495275e-10 -2.39807e-11 ] [ 2.4950876e-10 6.890156e-11 3.486085e-11 ] [ 2.2654725e-10 5.584857e-11 2.6235135e-10 ] [ 1.8766976e-10 2.6287927e-10 1.7360486e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.03e-05 -9.2e-06 -2.48e-05 ] [ 5.45e-05 -6.16e-05 0.0001149 ] [ -4.88e-05 1.75e-05 0.0001613 ] [ -3.04e-05 5.71e-05 -0.0002277 ] [ 1.44e-05 -3.8e-06 -2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.65024193302e-14 -1.47400250328e-14 -3.97339805232e-14 ] [ 8.7318626553e-14 -9.86940806544e-14 1.840900952466e-13 ] [ -7.818621973919999e-14 2.8038091095e-14 2.584310910642e-13 ] [ -4.870616967359999e-14 9.148428580139999e-14 -3.648156195618e-13 ] [ 2.30713435296e-14 -6.088271209199999e-15 -3.79715862258e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.92419804636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.070684812308062e-18 } }