{ "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" [ [ 1.203026 0.2649124 0.0761432 ] [ 0.4390709 0.810708 2.186548 ] [ 0.3000789 2.890506 0.2564829 ] [ 2.996181 0.8499925 2.546793 ] [ 2.861384 1.542152 0.2554234 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.203026e-10 2.649124e-11 7.61432e-12 ] [ 4.390709e-11 8.107080000000001e-11 2.186548e-10 ] [ 3.000789e-11 2.890506e-10 2.564829e-11 ] [ 2.996181e-10 8.499925000000001e-11 2.546793e-10 ] [ 2.861384e-10 1.542152e-10 2.554234e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1969495 -3.5418906 -3.7360419 ] [ -2.2798381 -0.5290781 3.0444181 ] [ -0.7744109 1.3669722 -0.1141439 ] [ 1.4336355 0.4471705 2.5308281 ] [ 4.8175629 2.256826 -1.7250603 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.12207774677825e-09 -5.674734312751284e-09 -5.985798986509211e-09 ] [ -3.652703303029093e-09 -8.476765623972846e-10 4.877695503760357e-09 ] [ -1.240743038872687e-09 2.190130900123542e-09 -1.828786879869331e-10 ] [ 2.296937280848919e-09 7.164461206114464e-10 4.054833613083684e-09 ] [ 7.71858664761345e-09 3.615833854413581e-09 -2.763851282130235e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6371208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.429486533585393e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1585923 -0.2391181 -0.0825583 ] [ 0.3107439 0.8339217 2.0781067 ] [ 0.7043183 2.9825151 0.7486755 ] [ 2.8169334 1.0715718 2.5267115 ] [ 2.8091529 1.7093804 0.0504553 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1585923e-10 -2.391181e-11 -8.25583e-12 ] [ 3.107439e-11 8.339217000000001e-11 2.0781067e-10 ] [ 7.043182999999999e-11 2.9825151e-10 7.486755e-11 ] [ 2.8169334e-10 1.0715718e-10 2.5267115e-10 ] [ 2.8091529e-10 1.7093804e-10 5.04553e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 -2.6e-06 1.93e-05 ] [ 1.35e-05 9.9e-06 -2.29e-05 ] [ -1e-07 -8.7e-06 1.06e-05 ] [ -1e-05 -4.2e-06 -1.26e-05 ] [ -1.7e-06 5.6e-06 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-15 -4.16565921408e-15 3.092200878144e-14 ] [ 2.16293843808e-14 1.586154854592e-14 -3.668984461632e-14 ] [ -1.6021766208e-16 -1.393893660096e-14 1.698307218048e-14 ] [ -1.6021766208e-14 -6.72914180736e-15 -2.018742542208e-14 ] [ -2.72370025536e-15 8.972189076479999e-15 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.4498528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.033380336376142e-18 } }