{ "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" [ [ 1.104984 0.7498219 0.2438631 ] [ 0.0561128 2.748087 0.5245136 ] [ 1.296365 1.928403 2.567713 ] [ 2.230186 0.0250453 1.984887 ] [ 2.914783 2.131976 0.9359872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.104984e-10 7.498219000000001e-11 2.438631e-11 ] [ 5.61128e-12 2.748087e-10 5.245136000000001e-11 ] [ 1.296365e-10 1.928403e-10 2.567713e-10 ] [ 2.230186e-10 2.50453e-12 1.984887e-10 ] [ 2.914783e-10 2.131976e-10 9.359872e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3052128 -0.8675438 -3.2879066 ] [ -0.7797579 0.3190863 0.821599 ] [ -1.9366202 2.6136015 1.8045917 ] [ 1.4703142 -3.2018304 1.5699565 ] [ 2.5512767 1.1366865 -0.9082406 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.091181450557715e-09 -1.389958405331569e-09 -5.267807129294384e-09 ] [ -1.249309887556908e-09 5.112326140895141e-10 1.316346720317766e-09 ] [ -3.102807633372407e-09 4.187451253887351e-09 2.891274655650338e-09 ] [ 2.355703055878402e-09 -5.129897852910873e-09 2.515347620696421e-09 ] [ 4.087595915608627e-09 1.821172550483241e-09 -1.45516186737014e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.858899432689674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.579569830801125e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4731177 0.7744483 -0.1431857 ] [ -0.0473893 2.2869811 0.8946728 ] [ 1.5678544 2.2588872 2.6459701 ] [ 1.5707104 -0.0573248 2.0873919 ] [ 3.0381376 2.3203415 0.7721149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4731177e-10 7.744483e-11 -1.431857e-11 ] [ -4.738930000000001e-12 2.2869811e-10 8.946728000000001e-11 ] [ 1.5678544e-10 2.2588872e-10 2.6459701e-10 ] [ 1.5707104e-10 -5.73248e-12 2.0873919e-10 ] [ 3.0381376e-10 2.3203415e-10 7.721149e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 9e-07 1e-06 ] [ -3.4e-06 7.6e-06 -8e-06 ] [ -7e-07 -1.26e-05 6e-06 ] [ -8e-07 -5e-06 1.2e-05 ] [ 4.2e-06 9.1e-06 -1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1215236438e-15 1.4419589706e-15 1.602176634e-15 ] [ -5.4474005556e-15 1.21765424184e-14 -1.2817413072e-14 ] [ -1.1215236438e-15 -2.01874255884e-14 9.613059803999999e-15 ] [ -1.2817413072e-15 -8.010883169999999e-15 1.9226119608e-14 ] [ 6.729141862799999e-15 1.45798073694e-14 -1.77841606374e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }