{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 54.1621835 -56.721328 -1.9128312 ] [ -54.6499608 70.9961278 -43.5351179 ] [ 4.0875053 -12.3112684 48.1730324 ] [ -13.6689417 10.3051695 0.4656472 ] [ 11.3699311 -11.560005 -5.7968899 ] [ -0.1051148 0.5752901 -0.3023828 ] [ -1.1956026 -1.2839861 2.9085422 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.677738485012033e-08 -9.087758637104994e-08 -3.06469345342618e-09 ] [ -8.755889024277593e-08 1.137483370656378e-07 -6.975094865781515e-08 ] [ 6.54890548301116e-09 -1.972482656538256e-08 7.718170690020494e-08 ] [ -2.190005900324824e-08 1.651070178230946e-08 7.460490635275247e-10 ] [ 1.821663793860992e-08 -1.852116989992317e-08 -9.287641547650595e-09 ] [ -1.684124764475832e-10 9.217163559915233e-10 -4.844706566834952e-10 ] [ -1.915566549269648e-09 -2.057172527800787e-09 4.659998351842954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.530804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.656971668033736e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.1889259 1.3188911 2.1042032 ] [ 1.3580287 3.4055032 1.7575824 ] [ 1.8891067 2.3028248 4.175151 ] [ 2.7514044 4.8644794 3.4535664 ] [ 4.8174102 3.4175065 2.5217061 ] [ 3.4868348 3.245319 0.2313558 ] [ 4.1640123 3.2397709 5.0882718 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1889259e-10 1.3188911e-10 2.1042032e-10 ] [ 1.3580287e-10 3.4055032e-10 1.7575824e-10 ] [ 1.8891067e-10 2.3028248e-10 4.175151e-10 ] [ 2.7514044e-10 4.864479399999999e-10 3.4535664e-10 ] [ 4.8174102e-10 3.4175065e-10 2.5217061e-10 ] [ 3.4868348e-10 3.245319e-10 2.313558e-11 ] [ 4.164012300000001e-10 3.2397709e-10 5.0882718e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 4.9e-06 -4.1e-06 ] [ -1.69e-05 1.75e-05 -1.53e-05 ] [ 2.28e-05 1.01e-05 3.9e-06 ] [ -1.62e-05 -1.81e-05 5.2e-06 ] [ -2.5e-06 4.6e-06 -5.8e-06 ] [ 1.34e-05 -1.52e-05 5.7e-06 ] [ 6e-06 -3.9e-06 1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.05743657844e-14 7.850665506599998e-15 -6.568924199399999e-15 ] [ -2.70767851146e-14 2.8038091095e-14 -2.45133025002e-14 ] [ 3.65296272552e-14 1.61819840034e-14 6.248488872599999e-15 ] [ -2.59552614708e-14 -2.899939707539999e-14 8.331318496799998e-15 ] [ -4.005441585e-15 7.370012516399999e-15 -9.2926244772e-15 ] [ 2.14691668956e-14 -2.43530848368e-14 9.1324068138e-15 ] [ 9.613059803999999e-15 -6.248488872599999e-15 1.66626369936e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.718424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.960328136210481e-18 } }