{ "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" [ [ 3.034718 3.53714 2.04977 ] [ 2.090115 3.249613 4.258758 ] [ 4.260617 1.92046 3.281861 ] [ 5.152468 4.155846 3.194292 ] [ 3.505339 5.178097 3.977293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.034718e-10 3.53714e-10 2.04977e-10 ] [ 2.090115e-10 3.249613e-10 4.258758e-10 ] [ 4.260617e-10 1.92046e-10 3.281861e-10 ] [ 5.152468e-10 4.155846e-10 3.194292e-10 ] [ 3.505339e-10 5.178097e-10 3.977293e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0867893 0.9169731 -0.2431665 ] [ 0.574303 -0.6152282 -0.0409374 ] [ -0.4534015 -0.1907751 0.7516189 ] [ 4.0711127 -2.3949849 -1.9934667 ] [ -4.1052249 2.2840151 1.5259517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.390517885412162e-10 1.469152874826545e-09 -3.89595684471561e-10 ] [ 9.201348474361019e-10 -9.857042466178786e-10 -6.558894573671159e-11 ] [ -7.26429289120551e-10 -3.056554075690134e-10 1.204226239252782e-09 ] [ 6.522641642320651e-09 -3.837188845562826e-09 -3.193885767397088e-09 ] [ -6.577295412094986e-09 3.659395624923173e-09 2.444844158352578e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.441747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.153605296353959e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0807537 3.7026097 2.0411135 ] [ 2.1982203 3.1099978 4.266999 ] [ 4.1408557 1.9383516 3.4005994 ] [ 5.2830322 4.059275 3.0934327 ] [ 3.3403951 5.2309219 3.9598293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0807537e-10 3.7026097e-10 2.0411135e-10 ] [ 2.1982203e-10 3.1099978e-10 4.266999000000001e-10 ] [ 4.1408557e-10 1.9383516e-10 3.4005994e-10 ] [ 5.2830322e-10 4.059275e-10 3.0934327e-10 ] [ 3.3403951e-10 5.2309219e-10 3.9598293e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -3.4e-06 -3.8e-06 ] [ 5.4e-06 1.3e-06 -8e-07 ] [ -4e-06 9.4e-06 -0.0 ] [ -1.8e-06 2.4e-06 6.7e-06 ] [ 5.4e-06 -9.7e-06 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883169999999e-15 -5.4474005556e-15 -6.088271209199999e-15 ] [ 8.6517538236e-15 2.0828296242e-15 -1.2817413072e-15 ] [ -6.408706535999999e-15 1.50604603596e-14 0.0 ] [ -2.8839179412e-15 3.845223921599999e-15 1.07345834478e-14 ] [ 8.6517538236e-15 -1.55411133498e-14 -3.364570931399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786281540152e-18 } }