{ "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" [ [ 8.677738413517952e-08 -9.087758562232841e-08 -3.064693428176809e-09 ] [ -8.755888952139647e-08 1.137483361284889e-07 -6.97509480831516e-08 ] [ 6.548905429056091e-09 -1.972482640287382e-08 7.718170626432091e-08 ] [ -2.190005882281821e-08 1.651070164628123e-08 7.460490573809818e-10 ] [ 1.821663778852683e-08 -1.85211697473311e-08 -9.28764147113165e-09 ] [ -1.684124750600678e-10 9.217163483976942e-10 -4.844706526920423e-10 ] [ -1.915566533487694e-09 -2.057172510852171e-09 4.659998313450197e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.530804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.656971621427123e-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" [ [ -1.057436569728e-14 7.850665441919999e-15 -6.568924145279999e-15 ] [ -2.707678489152e-14 2.8038090864e-14 -2.451330229824e-14 ] [ 3.652962695424e-14 1.618198387008e-14 6.24848882112e-15 ] [ -2.595526125696e-14 -2.899939683648e-14 8.33131842816e-15 ] [ -4.005441552e-15 7.370012455680001e-15 -9.292624400640001e-15 ] [ 2.146916671872e-14 -2.435308463616e-14 9.13240673856e-15 ] [ 9.6130597248e-15 -6.24848882112e-15 1.666263685632e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.718424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.960328103582162e-18 } }