{ "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" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8498615 -2.1874283 -5.6054832 ] [ -13.4118816 -46.1787278 11.2229014 ] [ 10.9285411 3.5419528 -7.1915022 ] [ 3.3332019 44.8242034 1.5740841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.361628237436191e-09 -3.504646510810342e-09 -8.980974205319548e-09 ] [ -2.148820331749453e-08 -7.398647866900622e-08 1.798107038876588e-08 ] [ 1.750945319412866e-08 5.674834014890874e-09 -1.152205678819959e-08 ] [ 5.340378200584405e-09 7.181629132514335e-08 2.521960764970919e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.9850372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.279344002346078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7716036 -0.1929142 -0.1246415 ] [ 0.9681885 0.5934854 1.9689565 ] [ 3.2499273 3.1321641 0.5732995 ] [ 1.4733171 2.8042393 1.9060897 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.716036e-11 -1.929142e-11 -1.246415e-11 ] [ 9.681885e-11 5.934854e-11 1.9689565e-10 ] [ 3.2499273e-10 3.1321641e-10 5.732995e-11 ] [ 1.4733171e-10 2.8042393e-10 1.9060897e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 2.71e-05 3.56e-05 ] [ -1.01e-05 -9.7e-06 -1.71e-05 ] [ -1.7e-06 9.2e-06 2.7e-06 ] [ 5.3e-06 -2.67e-05 -2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0414148121e-14 4.34189867814e-14 5.703748817039999e-14 ] [ -1.61819840034e-14 -1.55411133498e-14 -2.73972204414e-14 ] [ -2.7237002778e-15 1.47400250328e-14 4.3258769118e-15 ] [ 8.4915361602e-15 -4.277811612779999e-14 -3.39661446408e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9692693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.437035369651354e-18 } }