{ "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" [ [ 1.305811 2.49596 1.153083 ] [ 2.737889 0.6120376 2.536176 ] [ 2.287817 4.454983 1.771215 ] [ 3.462438 1.614504 0.7986264 ] [ 3.194185 2.806829 3.238803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.305811e-10 2.49596e-10 1.153083e-10 ] [ 2.737889e-10 6.120375999999999e-11 2.536176e-10 ] [ 2.287817e-10 4.454983e-10 1.771215e-10 ] [ 3.462438e-10 1.614504e-10 7.986264e-11 ] [ 3.194185e-10 2.806829e-10 3.238803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1717395 -1.9044032 -1.0278849 ] [ -2.7163047 -1.248358 2.2583699 ] [ 0.0688823 0.5108737 0.5497859 ] [ 1.8438865 2.0062761 -2.4613619 ] [ 1.9752754 0.6356114 0.681091 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.877333632567881e-09 -3.051190283616706e-09 -1.646853155653346e-09 ] [ -4.351999885309158e-09 -2.000090001988647e-09 3.618307454898434e-09 ] [ 1.103616106469318e-10 8.18509898321593e-10 8.808541154254869e-10 ] [ 2.954231841708739e-09 3.214408662289803e-09 -3.943536491507868e-09 ] [ 3.164740065521368e-09 1.018361724993957e-09 1.091228076837293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.157513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.947848309567207e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.412425 2.3714978 0.9528209 ] [ 2.2719008 0.8610107 2.6622839 ] [ 1.9544121 4.289538 2.146666 ] [ 3.7189027 1.5918014 0.8312755 ] [ 3.6304993 2.8704657 2.904857 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.412425e-10 2.3714978e-10 9.528209e-11 ] [ 2.2719008e-10 8.610107e-11 2.6622839e-10 ] [ 1.9544121e-10 4.289538e-10 2.146666e-10 ] [ 3.7189027e-10 1.5918014e-10 8.312755e-11 ] [ 3.6304993e-10 2.8704657e-10 2.904857e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 2.03e-05 7.9e-06 ] [ -7.6e-06 -2.12e-05 2.35e-05 ] [ -9.6e-06 5.6e-06 -5.4e-06 ] [ 1.94e-05 -4.3e-06 -2.27e-05 ] [ -8e-06 -4e-07 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.292624400640001e-15 3.252418540224e-14 1.265719530432e-14 ] [ -1.217654231808e-14 -3.396614436096001e-14 3.76511505888e-14 ] [ -1.538089555968e-14 8.972189076479999e-15 -8.65175375232e-15 ] [ 3.108222644352e-14 -6.889359469440001e-15 -3.636940929216e-14 ] [ -1.28174129664e-14 -6.408706483200001e-16 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.004913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.243834418493799e-18 } }