{ "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" [ [ -9.4390629 2.687443 -12.801734 ] [ -10.929475 6.4199038 7.6729301 ] [ 8.7425467 -11.5594287 -7.6970911 ] [ 0.895502 -9.2833124 10.8450962 ] [ 10.7304892 11.7353942 1.9807988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.512304590064065e-08 4.305758344332615e-09 -2.051063892050047e-08 ] [ -1.751094932261808e-08 1.028581977614508e-08 1.229338921925261e-08 ] [ 1.400710392899219e-08 -1.852024641294454e-08 -1.233209940858776e-08 ] [ 1.434752368279642e-09 -1.487350609086274e-08 1.737575958196692e-08 ] [ 1.719213892598689e-08 1.880217422311192e-08 3.173589527868695e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 77.026319 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.234097674880828e-17 } "relaxed-configuration-positions" { "source-value" [ [ -2.0935255 2.8012897 -4.3680778 ] [ -3.6404459 5.1046328 5.2392967 ] [ 5.8088633 -3.003857 -2.4052939 ] [ 2.147841 -2.8790426 6.8996152 ] [ 5.8963452 6.0980202 1.940518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.0935255e-10 2.8012897e-10 -4.3680778e-10 ] [ -3.6404459e-10 5.1046328e-10 5.239296699999999e-10 ] [ 5.808863299999999e-10 -3.003857e-10 -2.4052939e-10 ] [ 2.147841e-10 -2.8790426e-10 6.8996152e-10 ] [ 5.8963452e-10 6.0980202e-10 1.940518e-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 } }