{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.8464839 -4.5878509 -3.8062177 ] [ -9.9607699 -6.588493 4.8591191 ] [ -4.1299351 7.9321436 -8.4723093 ] [ 3.9815138 -0.3293402 -3.6965995 ] [ 6.6720363 -10.0442026 5.8848627 ] [ 5.5850337 7.4131712 -0.677742 ] [ 7.6986051 6.2045719 5.9088868 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.577580630166361e-08 -7.35054745169624e-09 -6.098233012615149e-09 ] [ -1.595891265894835e-08 -1.055592945090445e-08 7.785167019702738e-09 ] [ -6.61688546264131e-09 1.270869502874835e-08 -1.357413588464641e-08 ] [ 6.379088325752567e-09 -5.276611687295962e-10 -5.92260529536097e-09 ] [ 1.068978057298893e-08 -1.609258658029857e-08 9.428589434557964e-09 ] [ 8.948210420520122e-09 1.187720958262788e-08 -1.085862387334233e-09 ] [ 1.233452510399165e-08 9.940820040252635e-09 9.467080285913727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.561288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.051234223593559e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1888268 2.552923 1.2879448 ] [ 1.7844339 2.2206908 4.2992397 ] [ 2.3191646 4.407426 3.0614255 ] [ 4.5664292 2.1333689 1.8789986 ] [ 4.244771 1.8689875 4.2730478 ] [ 4.5669974 4.6184831 1.8355987 ] [ 4.1627461 4.2860848 4.8468929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1888268e-10 2.552923e-10 1.2879448e-10 ] [ 1.7844339e-10 2.2206908e-10 4.299239700000001e-10 ] [ 2.3191646e-10 4.407426e-10 3.0614255e-10 ] [ 4.5664292e-10 2.1333689e-10 1.8789986e-10 ] [ 4.244771e-10 1.8689875e-10 4.2730478e-10 ] [ 4.5669974e-10 4.6184831e-10 1.8355987e-10 ] [ 4.1627461e-10 4.2860848e-10 4.8468929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 1.76e-05 1.15e-05 ] [ -2.34e-05 -1.91e-05 2.04e-05 ] [ 2.13e-05 1.14e-05 1.2e-06 ] [ 2.93e-05 2.09e-05 -8.2e-06 ] [ 7.7e-06 -1.81e-05 1.61e-05 ] [ 5.9e-06 -9.5e-06 -3.66e-05 ] [ -2.84e-05 -3.1e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.002720776e-14 2.819830852608e-14 1.84250311392e-14 ] [ -3.749093292672001e-14 -3.060157345728e-14 3.268440306432e-14 ] [ 3.412636202304e-14 1.826481347712e-14 1.92261194496e-15 ] [ 4.694377498944e-14 3.348549137472e-14 -1.313784829056e-14 ] [ 1.233675998016e-14 -2.899939683648e-14 2.579504359488e-14 ] [ 9.45284206272e-15 -1.52206778976e-14 -5.863966432128e-14 ] [ -4.550181603071999e-14 -4.96674752448e-15 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.807478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.853072492701034e-18 } }