{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3213078 -0.6964406 -0.9303842 ] [ -1.2259701 -3.4962222 -0.0379497 ] [ -6.6201061 1.3563456 3.0536797 ] [ 7.0758631 -4.9430761 -2.9653119 ] [ 0.6645114 -0.544945 3.6507538 ] [ 1.2260566 6.9831105 0.6465931 ] [ -0.7990471 1.3412279 -3.4173806 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.147918452406822e-10 -1.115820847095924e-09 -1.490639813601711e-09 ] [ -1.964220632019838e-09 -5.601565469961943e-09 -6.080212210637377e-11 ] [ -1.060657922063547e-08 2.173105210044948e-09 4.892534222751558e-09 ] [ 1.133678243080141e-08 -7.919680962255242e-09 -4.750953399560028e-09 ] [ 1.064664629335077e-09 -8.73098138621856e-10 5.849152386656759e-09 ] [ 1.964359220297537e-09 1.1188176383563e-08 1.035956347990597e-09 ] [ -1.28021458253804e-09 2.14888398454468e-09 -5.475247301695477e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.12576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.102978580223181e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0235023 2.1254836 0.5342492 ] [ 2.9703662 0.8617073 2.2956633 ] [ 2.2170175 1.8689995 4.299187 ] [ 5.2392415 1.5250873 2.2242395 ] [ 3.4647255 3.9294635 4.3754161 ] [ 4.7715729 3.8362142 2.4057153 ] [ 3.271204 4.1859515 0.6104895 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0235023e-10 2.1254836e-10 5.342492e-11 ] [ 2.9703662e-10 8.617072999999999e-11 2.2956633e-10 ] [ 2.2170175e-10 1.8689995e-10 4.299187e-10 ] [ 5.239241500000001e-10 1.5250873e-10 2.2242395e-10 ] [ 3.4647255e-10 3.9294635e-10 4.3754161e-10 ] [ 4.7715729e-10 3.8362142e-10 2.4057153e-10 ] [ 3.271204e-10 4.1859515e-10 6.104895e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.11e-05 7.5e-06 -6e-06 ] [ 2.62e-05 -6e-07 2.18e-05 ] [ 6e-07 5.2e-06 -2.91e-05 ] [ 1.4e-06 -1.99e-05 -1.37e-05 ] [ -8.1e-06 1.2e-05 1.9e-05 ] [ 1.24e-05 2e-07 2.25e-05 ] [ -1.15e-05 -4.4e-06 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.380592669888e-14 1.2016324656e-14 -9.6130597248e-15 ] [ 4.197702746496e-14 -9.6130597248e-16 3.492745033344e-14 ] [ 9.6130597248e-16 8.33131842816e-15 -4.662333966527999e-14 ] [ 2.24304726912e-15 -3.188331475392e-14 -2.194981970496e-14 ] [ -1.297763062848e-14 1.92261194496e-14 3.04413557952e-14 ] [ 1.986699009792e-14 3.2043532416e-16 3.604897396800001e-14 ] [ -1.84250311392e-14 -7.04957713152e-15 -2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }