{ "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" [ [ -7.692196779213674e-09 -4.671835232814946e-09 -2.376644385681931e-08 ] [ -2.460168753552059e-08 3.016781642927718e-10 2.792332718270658e-10 ] [ -8.407732228529005e-09 1.335161881619145e-08 8.951724548253918e-09 ] [ 7.14412451669028e-09 -1.161349845610253e-08 -6.27308132262592e-09 ] [ 1.731528941329578e-08 -1.093242967140846e-08 9.399272723971555e-09 ] [ 1.680866818399425e-08 1.367956322443968e-08 5.203477494391996e-09 ] [ -5.6646557071704e-10 -1.150970048156286e-10 6.20581682056537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.474772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.479331811487745e-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" [ [ -1.4419589706e-15 -2.11487315688e-14 -3.140266202639999e-14 ] [ -6.61698949842e-14 -2.77176557682e-14 1.05743657844e-14 ] [ 3.94135451964e-14 3.71704979088e-14 1.7623942974e-15 ] [ 4.18168101474e-14 -4.005441585e-15 2.0027207925e-14 ] [ 9.613059803999998e-16 -3.42865799676e-14 -3.204353268e-14 ] [ -3.86124568794e-14 4.21372454742e-14 1.2817413072e-15 ] [ 2.38724318466e-14 7.850665506599998e-15 2.98004853924e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.755005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.805971395155317e-18 } }