{ "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" [ [ 1.816977 2.980856 2.674074 ] [ 1.919186 2.00454 4.634036 ] [ 0.9862405 4.087254 4.422598 ] [ 4.092598 2.125916 2.093906 ] [ 4.150721 2.426451 4.257829 ] [ 3.183229 4.446818 3.622817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.816977e-10 2.980856e-10 2.674074e-10 ] [ 1.919186e-10 2.00454e-10 4.634036e-10 ] [ 9.862405e-11 4.087254e-10 4.422598e-10 ] [ 4.092598e-10 2.125916e-10 2.093906e-10 ] [ 4.150721e-10 2.426451e-10 4.257829e-10 ] [ 3.183229e-10 4.446818000000001e-10 3.622817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9931232 -8.409684 -18.1687644 ] [ -0.298158 -15.708364 10.3959345 ] [ -19.6288364 14.4861047 12.4733925 ] [ 0.8757984 -1.2405515 -3.4611098 ] [ 2.8337299 -2.8439352 0.5060299 ] [ 13.2243429 13.71643 -1.7454827 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.795512014214083e-09 -1.347379909311583e-08 -2.910956955050334e-08 ] [ -4.777017769044863e-10 -2.516757355181637e-08 1.665612320726814e-08 ] [ -3.144886277358804e-08 2.3209298276801e-08 1.998457784556206e-08 ] [ 1.403183721014047e-09 -1.987582610198371e-09 -5.545309203581764e-09 ] [ 4.540135795441921e-09 -4.556486488510173e-09 8.107492752057619e-10 ] [ 2.118773301982247e-08 2.197614346683975e-08 -2.79657157395086e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.132513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.623407543855207e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9004625 2.9885718 2.4185141 ] [ 1.9240132 1.9001378 4.728801 ] [ 0.8252657 4.1514316 4.4595457 ] [ 3.9718107 1.8856979 1.9811269 ] [ 4.3189439 2.4760761 4.2898959 ] [ 3.2084555 4.6699199 3.8273764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9004625e-10 2.9885718e-10 2.4185141e-10 ] [ 1.9240132e-10 1.9001378e-10 4.728801e-10 ] [ 8.252657e-11 4.1514316e-10 4.4595457e-10 ] [ 3.9718107e-10 1.8856979e-10 1.9811269e-10 ] [ 4.3189439e-10 2.4760761e-10 4.289895900000001e-10 ] [ 3.2084555e-10 4.6699199e-10 3.8273764e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.6e-06 -4.5e-06 -1.57e-05 ] [ -2.24e-05 6.5e-06 1.21e-05 ] [ 1.5e-06 -5.9e-06 1.62e-05 ] [ 1e-05 -1.57e-05 -2.29e-05 ] [ -4.9e-06 2.7e-05 -7e-07 ] [ 7.2e-06 -7.3e-06 1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.377871893888e-14 -7.2097947936e-15 -2.515417294656e-14 ] [ -3.588875630592e-14 1.04141480352e-14 1.938633711168e-14 ] [ 2.4032649312e-15 -9.45284206272e-15 2.595526125696e-14 ] [ 1.6021766208e-14 -2.515417294656e-14 -3.668984461632e-14 ] [ -7.850665441919999e-15 4.32587687616e-14 -1.12152363456e-15 ] [ 1.153567166976e-14 -1.169588933184e-14 1.778416049088e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.045052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.211571367712028e-18 } }