{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.9674235 -26.2281767 -14.0699217 ] [ -12.9718627 2.6456042 -3.6866229 ] [ 1.6580424 -9.7739518 17.4658998 ] [ 12.1755792 15.7189091 -13.9804179 ] [ -5.8291824 17.6376151 14.2710627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.958689797312509e-09 -4.202217151495129e-08 -2.254249960422659e-08 ] [ -2.078321514616757e-08 4.238725197130288e-09 -5.906621020085896e-09 ] [ 2.656476769575122e-09 -1.565959706678608e-08 2.798345632079539e-08 ] [ 1.950742833893877e-08 2.518446866450037e-08 -2.239909870839383e-08 ] [ -9.339379759658834e-09 2.825857455988906e-08 2.286476301191092e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 107.15944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.716883494660204e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.9447736 -4.6903157 -2.565413 ] [ -4.8867753 1.3721966 -1.1817886 ] [ 1.687556 -2.0676862 7.0023043 ] [ 4.6295087 5.1959764 -2.6044919 ] [ -0.718615 7.5244297 5.5185086 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9447736e-10 -4.6903157e-10 -2.565413e-10 ] [ -4.886775300000001e-10 1.3721966e-10 -1.1817886e-10 ] [ 1.687556e-10 -2.0676862e-10 7.0023043e-10 ] [ 4.6295087e-10 5.195976400000001e-10 -2.6044919e-10 ] [ -7.18615e-11 7.5244297e-10 5.5185086e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }