{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2916307 -2.4152521 -3.254299 ] [ -0.3756592 1.6375318 0.70531 ] [ 0.6435494 2.1926626 0.2724094 ] [ -0.1436315 -2.4307895 1.0742497 ] [ 0.5817233 -1.3992513 0.2920934 ] [ -0.3955747 6.6664868 -1.4839147 ] [ 0.9812234 -4.2513884 2.3941511 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.069420527297063e-09 -3.869660479839431e-09 -5.213961817849566e-09 ] [ -6.018723925871328e-10 2.623615187391961e-09 1.13003120172654e-09 ] [ 1.03107981150472e-09 3.513032783965688e-09 4.364479755619596e-10 ] [ -2.30123033206371e-10 -3.894554139072543e-09 1.72113776842151e-09 ] [ 9.32023478713372e-10 -2.241847737954124e-09 4.679852204256155e-10 ] [ -6.337805413415598e-10 1.068088938182943e-08 -2.377493459189119e-09 ] [ 1.572093204214035e-09 -6.811475156538645e-09 3.835852950685398e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.866277 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.061404837597162e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.7265932 1.8958306 -0.1937027 ] [ 1.362269 4.1645128 1.8653623 ] [ 3.358492 2.9983208 1.8056689 ] [ 3.75935 1.6510753 3.7503701 ] [ 5.8260333 0.4580077 4.4910353 ] [ 5.7692858 2.9537434 4.5062475 ] [ 5.2285607 4.2364133 2.5889113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.7265932e-10 1.8958306e-10 -1.937027e-11 ] [ 1.362269e-10 4.1645128e-10 1.8653623e-10 ] [ 3.358492e-10 2.9983208e-10 1.8056689e-10 ] [ 3.75935e-10 1.6510753e-10 3.7503701e-10 ] [ 5.8260333e-10 4.580077e-11 4.4910353e-10 ] [ 5.7692858e-10 2.9537434e-10 4.5062475e-10 ] [ 5.228560700000001e-10 4.2364133e-10 2.5889113e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 1.54e-05 5.5e-06 ] [ -3.4e-06 -1.73e-05 -2.62e-05 ] [ -6.6e-06 1.64e-05 1.25e-05 ] [ -5.19e-05 -2.88e-05 3.8e-06 ] [ 1.42e-05 -5.8e-06 -1.3e-06 ] [ 3.88e-05 1.59e-05 1.98e-05 ] [ 1.81e-05 4.2e-06 -1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.45798073694e-14 2.46735201636e-14 8.811971486999999e-15 ] [ -5.4474005556e-15 -2.77176557682e-14 -4.197702781079999e-14 ] [ -1.05743657844e-14 2.62756967976e-14 2.0027207925e-14 ] [ -8.315296730459999e-14 -4.614268705919999e-14 6.088271209199999e-15 ] [ 2.27509082028e-14 -9.2926244772e-15 -2.0828296242e-15 ] [ 6.21644533992e-14 2.54746084806e-14 3.17230973532e-14 ] [ 2.899939707539999e-14 6.729141862799999e-15 -2.29111258662e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.164853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.58989497686448e-18 } }