{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0259569 0.2123667 -1.4304097 ] [ 0.2025368 -0.080601 1.6181708 ] [ -0.9193919 0.1140548 -0.9723771 ] [ -0.2196124 0.2993682 -0.3064201 ] [ 0.2704406 -0.0067429 -0.2642905 ] [ 0.034405 0.3283533 0.8112206 ] [ 0.605665 -0.8667992 0.544106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.158753832844353e-11 3.402489617764474e-10 -2.291768979505542e-09 ] [ 3.244997258116455e-10 -1.291370378131008e-10 2.592595424221233e-09 ] [ -1.473028207532892e-09 1.827359340500198e-10 -1.557919856221304e-09 ] [ -3.518578529177779e-10 4.796407310509785e-10 -4.90939120363198e-10 ] [ 4.332936066351245e-10 -1.080331673639232e-11 -4.234400601995424e-10 ] [ 5.5122886638624e-11 5.260799806225287e-10 1.299718679631348e-09 ] [ 9.703823030368321e-10 -1.388765413168143e-09 8.717539124370047e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.497501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.284061688702462e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5975624 1.6208238 1.7181777 ] [ 1.8812577 2.0272986 4.0498673 ] [ 2.5002759 3.735483 2.3473191 ] [ 3.7675755 0.6998576 1.5831212 ] [ 4.727594 2.7901901 2.2087247 ] [ 4.108568 1.0819955 3.9112517 ] [ 3.8032514 3.4101677 4.3154103 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5975624e-10 1.6208238e-10 1.7181777e-10 ] [ 1.8812577e-10 2.0272986e-10 4.0498673e-10 ] [ 2.5002759e-10 3.735483e-10 2.3473191e-10 ] [ 3.7675755e-10 6.998576e-11 1.5831212e-10 ] [ 4.727594e-10 2.7901901e-10 2.2087247e-10 ] [ 4.108568e-10 1.0819955e-10 3.9112517e-10 ] [ 3.8032514e-10 3.4101677e-10 4.3154103e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.9e-05 -4.2e-06 -4.68e-05 ] [ -1.26e-05 1.05e-05 3.5e-06 ] [ 2.46e-05 -2.95e-05 6.79e-05 ] [ 3.9e-06 -2.62e-05 -1.01e-05 ] [ -6.2e-06 -1.58e-05 -3.4e-06 ] [ 9.3e-06 5.67e-05 -7.6e-06 ] [ 0.0 8.5e-06 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.04413557952e-14 -6.72914180736e-15 -7.498186585344001e-14 ] [ -2.018742542208e-14 1.68228545184e-14 5.6076181728e-15 ] [ 3.941354487168e-14 -4.72642103136e-14 1.0878779255232e-13 ] [ 6.24848882112e-15 -4.197702746496e-14 -1.618198387008e-14 ] [ -9.93349504896e-15 -2.531439060864e-14 -5.44740051072e-15 ] [ 1.490024257344e-14 9.084341439936e-14 -1.217654231808e-14 ] [ 0.0 1.36185012768e-14 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }