{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9126901 -1.4037453 0.8411405 ] [ 1.77944 0.7710227 -2.7248659 ] [ 2.3030984 -1.9878368 2.5933538 ] [ 1.0636141 1.9291781 -2.8265624 ] [ -1.2334625 0.6913814 2.1169339 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.268820602655614e-09 -2.249047901217882e-09 1.347655643908022e-09 ] [ 2.850977166116352e-09 1.235314544046092e-09 -4.365716439795151e-09 ] [ 3.689970411881887e-09 -3.184865646925886e-09 4.155010827822839e-09 ] [ 1.704097644573233e-09 3.090884049179364e-09 -4.528652194512338e-09 ] [ -1.97622478013352e-09 1.107715115135973e-09 3.391702002358965e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7863829 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.407733726377691e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0208683 0.2748441 0.2019007 ] [ 0.432748 0.5609171 2.470288 ] [ 2.8002148 0.499939 1.8633135 ] [ 2.2676276 2.2783193 0.2724814 ] [ 1.6795072 2.5643924 2.5408687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0208683e-10 2.748441e-11 2.019007e-11 ] [ 4.32748e-11 5.609171e-11 2.470288e-10 ] [ 2.8002148e-10 4.99939e-11 1.8633135e-10 ] [ 2.2676276e-10 2.2783193e-10 2.724814e-11 ] [ 1.6795072e-10 2.5643924e-10 2.5408687e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 2e-07 1.6e-06 ] [ 1.1e-06 1e-07 -1.4e-06 ] [ -8e-07 -0.0 2e-07 ] [ -2e-07 3e-07 5e-07 ] [ 0.0 -7e-07 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 3.2043532416e-16 2.56348259328e-15 ] [ 1.76239428288e-15 1.6021766208e-16 -2.24304726912e-15 ] [ -1.28174129664e-15 0.0 3.2043532416e-16 ] [ -3.2043532416e-16 4.8065298624e-16 8.010883104e-16 ] [ 0.0 -1.12152363456e-15 -1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }