{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.103512 1.466985 2.426499 ] [ 2.074865 2.595365 4.552024 ] [ 1.591542 3.438653 2.256813 ] [ 3.435088 2.328735 1.940231 ] [ 4.699457 2.544305 3.846061 ] [ 3.437343 0.6039955 3.482177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.103512e-10 1.466985e-10 2.426499e-10 ] [ 2.074865e-10 2.595365e-10 4.552024e-10 ] [ 1.591542e-10 3.438653e-10 2.256813e-10 ] [ 3.435088e-10 2.328735e-10 1.940231e-10 ] [ 4.699457e-10 2.544305e-10 3.846061e-10 ] [ 3.437343e-10 6.039955e-11 3.482177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4448408 -6.8592233 0.9593173 ] [ 0.4809135 -0.0518054 0.7196846 ] [ -0.7050718 7.300447 -0.0616757 ] [ 3.6176947 0.3800814 -3.8061545 ] [ 0.2174067 0.7192395 1.2338615 ] [ -1.1661023 -1.4887391 0.9549669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.917066771337969e-09 -1.098968720810663e-08 1.53699574998898e-09 ] [ 7.705083663271009e-10 -8.300140071119232e-11 1.1530618404698e-09 ] [ -1.129649553945374e-09 1.16966055047895e-08 -9.881536461147457e-11 ] [ 5.796185869532069e-09 6.089575330809331e-10 -6.098131755052714e-09 ] [ 3.483239319452794e-10 1.152348711655881e-09 1.976864048605219e-09 ] [ -1.868301842521108e-09 -2.385222980490833e-09 1.530025640817852e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.939418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.39355862479587e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1961057 0.9528844 2.4823998 ] [ 2.4269333 3.3708575 4.5864288 ] [ 1.5641939 3.221462 2.4256342 ] [ 3.7840335 3.0791034 1.7272654 ] [ 4.2612708 2.15637 3.8144837 ] [ 3.1092698 0.1973611 3.4675932 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1961057e-10 9.528844e-11 2.4823998e-10 ] [ 2.4269333e-10 3.3708575e-10 4.5864288e-10 ] [ 1.5641939e-10 3.221462e-10 2.4256342e-10 ] [ 3.7840335e-10 3.0791034e-10 1.7272654e-10 ] [ 4.2612708e-10 2.15637e-10 3.8144837e-10 ] [ 3.1092698e-10 1.973611e-11 3.4675932e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 7.2e-06 6e-06 ] [ -1.9e-06 -1.26e-05 -7.7e-06 ] [ 1.8e-06 1.3e-06 -3.6e-06 ] [ -4.5e-06 -9.9e-06 6.4e-06 ] [ 3.8e-06 4.2e-06 4.3e-06 ] [ 4.6e-06 9.9e-06 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 1.153567166976e-14 9.6130597248e-15 ] [ -3.04413557952e-15 -2.018742542208e-14 -1.233675998016e-14 ] [ 2.88391791744e-15 2.08282960704e-15 -5.76783583488e-15 ] [ -7.2097947936e-15 -1.586154854592e-14 1.025393037312e-14 ] [ 6.08827115904e-15 6.72914180736e-15 6.889359469440001e-15 ] [ 7.370012455680001e-15 1.586154854592e-14 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.486326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961835932168718e-18 } }