{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8010916 -2.9159302 -14.8338475 ] [ -15.3551656 0.1882927 0.1742837 ] [ -5.2476937 8.333425 5.587227 ] [ 4.4590118 -7.2485756 -3.9153494 ] [ 10.8073536 -6.8234859 5.8665646 ] [ 10.4911455 8.5381118 3.2477552 ] [ -0.35356 -0.0718379 3.8733662 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.692196715839266e-09 -4.671835194324668e-09 -2.376644366101253e-08 ] [ -2.460168733283241e-08 3.016781618073082e-10 2.79233269526521e-10 ] [ -8.40773215925945e-09 1.335161870619024e-08 8.951724474502523e-09 ] [ 7.144124457831325e-09 -1.161349836042133e-08 -6.273081270943309e-09 ] [ 1.731528927063872e-08 -1.093242958133845e-08 9.399272646532904e-09 ] [ 1.680866804551113e-08 1.36795631117366e-08 5.203477451521628e-09 ] [ -5.664655660500479e-10 -1.150970038673683e-10 6.205816769436937e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.474772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.479331791061046e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6811458 3.0465821 1.3367429 ] [ 1.2477658 1.574324 3.0442297 ] [ 1.4529797 4.1411924 3.420236 ] [ 4.3161382 0.9547082 1.6462969 ] [ 3.5309572 1.2419499 4.1203918 ] [ 4.8866442 3.3124656 2.7904812 ] [ 3.4529942 3.7331678 4.9074446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6811458e-10 3.046582100000001e-10 1.3367429e-10 ] [ 1.2477658e-10 1.574324e-10 3.0442297e-10 ] [ 1.4529797e-10 4.1411924e-10 3.420236e-10 ] [ 4.3161382e-10 9.547082e-11 1.6462969e-10 ] [ 3.5309572e-10 1.2419499e-10 4.1203918e-10 ] [ 4.8866442e-10 3.3124656e-10 2.7904812e-10 ] [ 3.4529942e-10 3.7331678e-10 4.9074446e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 -1.32e-05 -1.96e-05 ] [ -4.13e-05 -1.73e-05 6.6e-06 ] [ 2.46e-05 2.32e-05 1.1e-06 ] [ 2.61e-05 -2.5e-06 1.25e-05 ] [ 6e-07 -2.14e-05 -2e-05 ] [ -2.41e-05 2.63e-05 8e-07 ] [ 1.49e-05 4.9e-06 1.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-15 -2.114873139456e-14 -3.140266176767999e-14 ] [ -6.616989443904001e-14 -2.771765553984e-14 1.057436569728e-14 ] [ 3.941354487168e-14 3.717049760256e-14 1.76239428288e-15 ] [ 4.181680980288e-14 -4.005441552e-15 2.002720776e-14 ] [ 9.6130597248e-16 -3.428657968511999e-14 -3.2043532416e-14 ] [ -3.861245656128e-14 4.213724512704e-14 1.28174129664e-15 ] [ 2.387243164992e-14 7.850665441919999e-15 2.980048514688e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.755005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.805971363798711e-18 } }