{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -35.3006739 5.7277962 -72.1051907 ] [ 28.5284767 -48.1216978 68.2491604 ] [ 2.4224439 9.8929834 36.5857585 ] [ -12.895946 31.4541083 -16.4710362 ] [ 11.7349285 -3.4369488 -18.2497025 ] [ 5.5107709 4.4837587 1.9910105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.655791442106475e-08 9.176941160347082e-09 -1.155252507778656e-07 ] [ 4.570765839577753e-08 -7.70994591683628e-08 1.093472091821092e-07 ] [ 3.881182981779573e-09 1.58503067134425e-08 5.861684692293487e-08 ] [ -2.066158318429928e-08 5.039503694637124e-08 -2.638950911999047e-08 ] [ 1.880142808945961e-08 -5.506599014246615e-09 -2.923924668205531e-08 ] [ 8.829228298564975e-09 7.183773362448601e-09 3.189950474867318e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 30.424635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.874563889337341e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1339671 0.6224732 0.5352096 ] [ 0.6721856 -0.0073967 2.7199489 ] [ 1.1015012 2.2601338 3.0853137 ] [ -0.5089134 2.6766344 1.4444012 ] [ 2.2223354 1.2451667 -0.0882913 ] [ 2.91258 2.4134697 1.730961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.339671e-11 6.224732e-11 5.352096e-11 ] [ 6.721856000000001e-11 -7.3967e-13 2.7199489e-10 ] [ 1.1015012e-10 2.2601338e-10 3.0853137e-10 ] [ -5.089134e-11 2.6766344e-10 1.4444012e-10 ] [ 2.2223354e-10 1.2451667e-10 -8.82913e-12 ] [ 2.91258e-10 2.4134697e-10 1.730961e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.74e-05 3e-06 1.1e-06 ] [ 1.39e-05 9e-07 -1.04e-05 ] [ -2.4e-06 6e-06 1e-07 ] [ -1.3e-06 -1e-06 6e-07 ] [ 9.4e-06 -6.4e-06 5.1e-06 ] [ -2.2e-06 -2.6e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.787787320192e-14 4.8065298624e-15 1.76239428288e-15 ] [ 2.227025502912e-14 1.44195895872e-15 -1.666263685632e-14 ] [ -3.84522388992e-15 9.6130597248e-15 1.6021766208e-16 ] [ -2.08282960704e-15 -1.6021766208e-15 9.6130597248e-16 ] [ 1.506046023552e-14 -1.025393037312e-14 8.17110076608e-15 ] [ -3.52478856576e-15 -4.16565921408e-15 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }