{ "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" [ [ 1.422927 0.2017469 2.232361 ] [ 0.633062 2.288682 0.1533226 ] [ 0.4085169 2.174523 2.673779 ] [ 1.949891 1.221121 0.2190205 ] [ 2.589215 1.862387 2.264415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.422927e-10 2.017469e-11 2.232361e-10 ] [ 6.33062e-11 2.288682e-10 1.533226e-11 ] [ 4.085169000000001e-11 2.174523e-10 2.673779e-10 ] [ 1.949891e-10 1.221121e-10 2.190205e-11 ] [ 2.589215e-10 1.862387e-10 2.264415e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3636555 -12.5013352 1.3115753 ] [ -29.3331777 19.21374 -9.5699173 ] [ -5.674384 3.8133902 1.0772009 ] [ 20.6379934 -17.2947709 -4.2039659 ] [ 18.7332237 6.7689758 11.385107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.991346823325335e-09 -2.002934698622409e-08 2.101375282078746e-09 ] [ -4.699693152471192e-08 3.07838050261298e-08 -1.533269776104946e-08 ] [ -9.091365382241588e-09 6.109724624427836e-09 1.725866097884719e-09 ] [ 3.306571052570471e-08 -2.770927759807218e-08 -6.735495879620431e-09 ] [ 3.001393304435648e-08 1.084509477352098e-08 1.824095226070643e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.26099827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.18165326263246e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.3873134 -0.127707 2.3464438 ] [ 0.1785262 2.5655496 0.0560645 ] [ 0.397138 2.237053 2.429727 ] [ 2.0948476 1.1195467 0.2196559 ] [ 2.9457867 1.9540177 2.4910068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3873134e-10 -1.27707e-11 2.3464438e-10 ] [ 1.785262e-11 2.5655496e-10 5.606450000000001e-12 ] [ 3.97138e-11 2.237053e-10 2.429727e-10 ] [ 2.0948476e-10 1.1195467e-10 2.196559e-11 ] [ 2.945786700000001e-10 1.9540177e-10 2.4910068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 -5e-07 5e-07 ] [ 2e-07 1e-06 4e-07 ] [ -3e-07 -1e-07 -5e-07 ] [ 2e-07 -5e-07 4e-07 ] [ -8e-07 0.0 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-15 -8.010883104e-16 8.010883104e-16 ] [ 3.2043532416e-16 1.6021766208e-15 6.408706483200001e-16 ] [ -4.8065298624e-16 -1.6021766208e-16 -8.010883104e-16 ] [ 3.2043532416e-16 -8.010883104e-16 6.408706483200001e-16 ] [ -1.28174129664e-15 0.0 -1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.744302 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.721426947121468e-18 } }