{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5794741 -4.2246638 -4.4561395 ] [ -6.012899 -2.9864884 6.5107577 ] [ -4.5912808 0.7177349 -3.1110558 ] [ 1.9155742 -2.2341819 -10.4175836 ] [ 4.5323746 -11.3854854 9.7428917 ] [ -5.5374895 15.1592953 -4.2642939 ] [ 10.2731947 4.9537892 5.9954234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.284198630281794e-10 -6.768657626865649e-09 -7.139522584744442e-09 ] [ -9.633726280401965e-09 -4.784881932192045e-09 1.043138385657558e-08 ] [ -7.356042817892827e-09 1.149938086186326e-09 -4.984460909830176e-09 ] [ 3.069088223933243e-09 -3.579554036285724e-09 -1.66908090266616e-08 ] [ 7.261664680655096e-09 -1.824155867462814e-08 1.560983342933253e-08 ] [ -8.872036287920342e-09 2.428786871756602e-08 -6.832152047088732e-09 ] [ 1.645947250487264e-08 7.936845306001553e-09 9.605727282416834e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8217898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.253188885361953e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.080628 1.3093265 0.8359965 ] [ 1.9451738 2.0075772 4.4689529 ] [ 1.4703651 3.2386548 2.3535515 ] [ 4.3992582 2.030194 1.5457014 ] [ 4.392566 1.8933146 4.0072955 ] [ 3.6438847 4.3361524 1.9668439 ] [ 4.7736323 4.3838975 4.2297593 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.080628e-10 1.3093265e-10 8.359965e-11 ] [ 1.9451738e-10 2.0075772e-10 4.4689529e-10 ] [ 1.4703651e-10 3.2386548e-10 2.3535515e-10 ] [ 4.3992582e-10 2.030194e-10 1.5457014e-10 ] [ 4.392566e-10 1.8933146e-10 4.0072955e-10 ] [ 3.6438847e-10 4.3361524e-10 1.9668439e-10 ] [ 4.7736323e-10 4.3838975e-10 4.2297593e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 4.9e-06 4.2e-06 ] [ 1.3e-06 7.4e-06 -1.54e-05 ] [ -1.69e-05 7.4e-06 7.1e-06 ] [ 6.9e-06 -1.11e-05 -8e-07 ] [ 2.07e-05 -4.7e-06 1.13e-05 ] [ 3.5e-06 5.9e-06 1.05e-05 ] [ -1.79e-05 -9.8e-06 -1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.845223921599999e-15 7.850665506599998e-15 6.729141862799999e-15 ] [ 2.0828296242e-15 1.18561070916e-14 -2.46735201636e-14 ] [ -2.70767851146e-14 1.18561070916e-14 1.13754541014e-14 ] [ 1.10550187746e-14 -1.77841606374e-14 -1.2817413072e-15 ] [ 3.316505632379999e-14 -7.530230179799999e-15 1.81045959642e-14 ] [ 5.607618218999999e-15 9.452842140600001e-15 1.6822854657e-14 ] [ -2.86789617486e-14 -1.57013310132e-14 -2.723700277799999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }