{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7699308 5.4006829 -0.0514766 ] [ 0.368849 0.5908225 1.0862621 ] [ 0.5062197 -3.4597367 1.5036671 ] [ -2.0651764 0.807074 1.9375455 ] [ 1.9291663 1.8160394 -4.0017232 ] [ 4.0349656 -0.7676861 -3.0482815 ] [ 0.9959067 -4.3871961 2.5740066 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.244448307556926e-09 8.652847950023356e-09 -8.247460571776438e-11 ] [ 5.909612492742659e-10 9.46602004341465e-10 1.740383755019771e-09 ] [ 8.110533750104897e-10 -5.543109300532267e-09 2.409140292934541e-09 ] [ -3.308777373168237e-09 1.293075104708916e-09 3.104290127411846e-09 ] [ 3.090865168960234e-09 2.909615893103379e-09 -6.411467406775707e-09 ] [ 6.464727603313789e-09 -1.229968731666587e-09 -4.883885393154471e-09 ] [ 1.595618444384048e-09 -7.029063080195926e-09 4.124013230281784e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.745003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.64415123468599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7607489 5.3124673 2.9179118 ] [ 5.6630515 3.0958122 1.4412539 ] [ 3.2805683 2.8648201 2.3595931 ] [ 5.3802404 2.501112 3.7850715 ] [ 4.0441096 4.8333179 0.9053166 ] [ 5.2932983 4.9806974 3.1393095 ] [ 3.5865231 3.8710831 4.6976986 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7607489e-10 5.3124673e-10 2.9179118e-10 ] [ 5.6630515e-10 3.0958122e-10 1.4412539e-10 ] [ 3.2805683e-10 2.8648201e-10 2.3595931e-10 ] [ 5.3802404e-10 2.501112e-10 3.7850715e-10 ] [ 4.0441096e-10 4.8333179e-10 9.053166000000001e-11 ] [ 5.2932983e-10 4.980697400000001e-10 3.1393095e-10 ] [ 3.5865231e-10 3.8710831e-10 4.6976986e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.62e-05 6.6e-06 -1.02e-05 ] [ -3.5e-05 -1.12e-05 1.13e-05 ] [ 1.32e-05 -8.7e-06 -2.05e-05 ] [ 2.26e-05 -8.7e-06 1.15e-05 ] [ 2.8e-06 1.47e-05 8.7e-06 ] [ 3.69e-05 1.38e-05 -1.27e-05 ] [ -1.42e-05 -6.5e-06 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.197702781079999e-14 1.05743657844e-14 -1.63422016668e-14 ] [ -5.607618218999999e-14 -1.79443783008e-14 1.81045959642e-14 ] [ 2.11487315688e-14 -1.39389367158e-14 -3.2844620997e-14 ] [ 3.62091919284e-14 -1.39389367158e-14 1.8425031291e-14 ] [ 4.486094575199999e-15 2.35519965198e-14 1.39389367158e-14 ] [ 5.91203177946e-14 2.21100375492e-14 -2.03476432518e-14 ] [ -2.27509082028e-14 -1.0414148121e-14 1.9226119608e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }