{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.292151 1.45413 2.80857 ] [ 4.176259 2.493047 1.980768 ] [ 5.406706 4.273706 3.138011 ] [ 3.209339 3.672476 3.364078 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.292151e-10 1.45413e-10 2.80857e-10 ] [ 4.176259e-10 2.493047e-10 1.980768e-10 ] [ 5.406706e-10 4.273706e-10 3.138011e-10 ] [ 3.209339e-10 3.672476e-10 3.364078e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7360374 2.1134209 -2.3663114 ] [ -3.3570527 -6.2440514 -1.4613511 ] [ -4.5742951 -0.6012037 1.0420163 ] [ 3.1953105 4.7318342 2.7856462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.587968397514418e-09 3.386073555890095e-09 -3.791248802612517e-09 ] [ -5.378591350733517e-09 -1.000407317215351e-08 -2.341342567200363e-09 ] [ -7.328828665859998e-09 -9.63234512478457e-10 1.669494154352519e-09 ] [ 5.119451779296759e-09 7.581234128741871e-09 4.463097215460361e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5544749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.297073204800418e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9123734 0.362459 2.3104073 ] [ 3.033931 2.2551735 2.3520724 ] [ 5.8377631 5.3041891 3.7319922 ] [ 4.3003876 3.9715375 2.8969551 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9123734e-10 3.62459e-11 2.3104073e-10 ] [ 3.033931e-10 2.2551735e-10 2.3520724e-10 ] [ 5.8377631e-10 5.3041891e-10 3.7319922e-10 ] [ 4.3003876e-10 3.9715375e-10 2.8969551e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0025443 0.0023215 -0.0079192 ] [ 0.0312061 0.0424719 0.0244503 ] [ 0.0545422 0.0570061 0.0273762 ] [ -0.083204 -0.1017995 -0.0439074 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.07641797630144e-12 3.719453025187201e-12 -1.268795709543936e-11 ] [ 4.999768384634688e-11 6.804748522095553e-11 3.917369903154624e-11 ] [ 8.738623768699776e-11 9.133384066298688e-11 4.386150760634496e-11 ] [ -1.333075035570432e-10 -1.631007789091296e-10 -7.034740976011392e-11 ] ] } "relaxed-potential-energy" { "source-value" -8.4152882 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.348277801133412e-18 } }