{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.350826 0.4418416 2.50309 ] [ 1.033244 1.643774 1.864586 ] [ 1.591632 0.5864069 0.4139953 ] [ 2.819906 0.5589855 2.733529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.350826e-10 4.418416e-11 2.50309e-10 ] [ 1.033244e-10 1.643774e-10 1.864586e-10 ] [ 1.591632e-10 5.864069e-11 4.139953e-11 ] [ 2.819906e-10 5.589855000000001e-11 2.733529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -55.2187634 -96.4874807 46.0264647 ] [ -27.9933182 99.7193702 -31.6265852 ] [ 7.1616461 -10.3519861 -25.6848356 ] [ 76.0504355 7.1200965 11.2849561 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.847021174896672e-08 -1.545899857774312e-07 7.374252568041648e-08 ] [ -4.485023995865514e-08 1.597680435753402e-07 -5.067137540317929e-08 ] [ 1.14742219478635e-08 -1.658571010826657e-08 -4.115164310741155e-08 ] [ 1.218462297597584e-07 1.140765215013991e-08 1.808049283017435e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 50.983235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.16841471697523e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.364751 -0.3844261 3.2810109 ] [ 0.8866673 2.3213748 1.1410206 ] [ 1.4763443 0.9459296 0.0259781 ] [ 3.0678455 0.3481297 3.0671906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.364751e-10 -3.844261e-11 3.2810109e-10 ] [ 8.866673e-11 2.3213748e-10 1.1410206e-10 ] [ 1.4763443e-10 9.459296000000001e-11 2.59781e-12 ] [ 3.0678455e-10 3.481297e-11 3.0671906e-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 ] ] "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 ] ] } "relaxed-potential-energy" { "source-value" -21.568291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.455621159081105e-18 } }