{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.4129116 22.2810197 -1.0735457 ] [ 12.8600275 -9.5103852 0.2578567 ] [ -2.3422589 -3.0219393 -0.4597734 ] [ -5.7953943 -21.9728334 -3.0201712 ] [ 20.40318 -2.3552755 6.5938988 ] [ 4.2822255 11.1948112 2.2971857 ] [ -12.9948682 3.3846025 -4.5954509 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.629638324477712e-08 3.569812885092423e-08 -1.72000982190037e-09 ] [ 2.060403540334507e-08 -1.523731682224233e-08 4.131319762566394e-10 ] [ -3.752712449440726e-09 -4.841680495936717e-09 -7.366381923457268e-10 ] [ -9.285245255777582e-09 -3.520435996621338e-08 -4.838847687453481e-09 ] [ 3.268949798597414e-08 -3.77356734164303e-09 1.056459049728118e-08 ] [ 6.860881581093591e-09 1.793606477890999e-08 3.680497222176083e-09 ] [ -2.082007402041738e-08 5.422730996201232e-09 -7.362723994014319e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.583773 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.657013338525428e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7660416 3.8594444 2.9713481 ] [ 5.2251724 2.4202955 0.9560747 ] [ 3.8062872 0.3323581 1.3148109 ] [ 2.9967587 1.3178604 3.510682 ] [ 5.2246017 2.7164847 3.5910438 ] [ 5.1402266 4.9619425 2.1249279 ] [ 3.2603169 4.0542348 0.3973996 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7660416e-10 3.8594444e-10 2.9713481e-10 ] [ 5.2251724e-10 2.4202955e-10 9.560747e-11 ] [ 3.8062872e-10 3.323581e-11 1.3148109e-10 ] [ 2.9967587e-10 1.3178604e-10 3.510682e-10 ] [ 5.2246017e-10 2.7164847e-10 3.5910438e-10 ] [ 5.1402266e-10 4.9619425e-10 2.1249279e-10 ] [ 3.2603169e-10 4.0542348e-10 3.973996000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-05 6.29e-05 -9.09e-05 ] [ -4.03e-05 2.58e-05 1.58e-05 ] [ -2.69e-05 1.24e-05 6.02e-05 ] [ 1.92e-05 -4.99e-05 -4.83e-05 ] [ 1.8e-05 -5e-06 -5.71e-05 ] [ -7.4e-05 -8.8e-06 2.73e-05 ] [ 5.8e-05 -3.75e-05 9.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.37001245568e-14 1.0077690944832e-13 -1.4563785483072e-13 ] [ -6.456771781824e-14 4.133615681664e-14 2.531439060864e-14 ] [ -4.309855109952001e-14 1.986699009792e-14 9.645103257216e-14 ] [ 3.076179111936e-14 -7.994861337792e-14 -7.738513078464e-14 ] [ 2.88391791744e-14 -8.010883104e-15 -9.148428504768e-14 ] [ -1.185610699392e-13 -1.409915426304e-14 4.373942174784e-14 ] [ 9.29262440064e-14 -6.008162327999999e-14 1.4916264339648e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.420024 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.912519153217491e-18 } }