{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.273646 -1.5991608 0.526855 ] [ -4.9267708 0.1509389 2.3473863 ] [ 4.7746038 0.3735809 -5.1998121 ] [ 2.2372765 -1.8479989 2.9500005 ] [ 3.1885364 2.9226398 -0.6244298 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.449312397187563e-09 -2.562138067768747e-09 8.441147705060699e-10 ] [ -7.893557056833486e-09 2.418307787416625e-10 3.760927480831714e-09 ] [ 7.64975864496761e-09 5.985425888886905e-10 -8.331017447810471e-09 ] [ 3.584512132097301e-09 -2.960820657237702e-09 4.726421871388316e-09 ] [ 5.108598516738477e-09 4.682585197158433e-09 -1.000446835133293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.790308632689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.408362709694388e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6593476 0.2515523 1.3157401 ] [ 0.4089937 2.4374434 2.2300984 ] [ 2.1673135 1.4326389 -0.1012692 ] [ 2.5693551 0.2903747 2.7395397 ] [ 2.7710963 2.5220842 1.9298387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.593476000000001e-11 2.515523e-11 1.3157401e-10 ] [ 4.089937e-11 2.4374434e-10 2.2300984e-10 ] [ 2.1673135e-10 1.4326389e-10 -1.012692e-11 ] [ 2.5693551e-10 2.903747e-11 2.7395397e-10 ] [ 2.7710963e-10 2.5220842e-10 1.9298387e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.41e-05 -1.49e-05 -4.2e-06 ] [ -1.26e-05 1.17e-05 6.4e-06 ] [ 9.6e-06 6e-07 -2.48e-05 ] [ 1.7e-05 -1.83e-05 1.77e-05 ] [ 1.01e-05 2.09e-05 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.86124568794e-14 -2.38724318466e-14 -6.729141862799999e-15 ] [ -2.01874255884e-14 1.87454666178e-14 1.02539304576e-14 ] [ 1.53808956864e-14 9.613059803999998e-16 -3.97339805232e-14 ] [ 2.723700277799999e-14 -2.93198324022e-14 2.83585264218e-14 ] [ 1.61819840034e-14 3.34854916506e-14 7.850665506599998e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }