{ "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" [ [ 1.691051 2.220945 1.919277 ] [ 2.666072 2.808957 4.219459 ] [ 1.090931 4.286689 3.184511 ] [ 3.947256 1.730986 2.765408 ] [ 5.245402 2.932614 3.956238 ] [ 3.932067 4.011287 2.276365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.691051e-10 2.220945e-10 1.919277e-10 ] [ 2.666072e-10 2.808957e-10 4.219459e-10 ] [ 1.090931e-10 4.286689e-10 3.184511e-10 ] [ 3.947256e-10 1.730986e-10 2.765408e-10 ] [ 5.245402000000001e-10 2.932614e-10 3.956238e-10 ] [ 3.932067e-10 4.011287e-10 2.276365e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8543251 1.2688956 1.7230892 ] [ 0.1624079 0.7853035 0.2714039 ] [ 3.3628333 -1.1405204 -1.7426014 ] [ -1.8044153 -2.9487353 -3.8488392 ] [ 0.5387678 2.5713205 1.8271285 ] [ -3.1139188 -0.5362639 1.769819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.368779701782622e-09 2.032994864555989e-09 2.760693231792975e-09 ] [ 2.602061404132243e-10 1.258194907932413e-09 4.348369833739411e-10 ] [ 5.387852892907712e-09 -1.827315120425464e-09 -2.79195522245335e-09 ] [ -2.890992007873818e-09 -4.724394758587675e-09 -6.166520183458575e-09 ] [ 8.632011731998503e-10 4.119709589683766e-09 2.927382565897373e-09 ] [ -4.989047900429591e-09 -8.591894831590292e-10 2.835562624847635e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.085747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.538526749630374e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8415727 2.3889061 2.106111 ] [ 2.5359781 2.3421768 4.3932783 ] [ 1.9160162 4.3445959 3.3313515 ] [ 3.9903544 1.6332661 2.6332363 ] [ 4.5931216 3.4031688 3.9880813 ] [ 3.695736 3.8793644 1.8691995 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8415727e-10 2.3889061e-10 2.106111e-10 ] [ 2.5359781e-10 2.3421768e-10 4.393278300000001e-10 ] [ 1.9160162e-10 4.3445959e-10 3.3313515e-10 ] [ 3.990354400000001e-10 1.6332661e-10 2.6332363e-10 ] [ 4.5931216e-10 3.4031688e-10 3.9880813e-10 ] [ 3.695736e-10 3.8793644e-10 1.8691995e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 -7.7e-06 2.1e-06 ] [ 1.33e-05 8.3e-06 -2.26e-05 ] [ -4.2e-06 1.65e-05 -8.5e-06 ] [ 3e-06 1.07e-05 1.17e-05 ] [ 3.7e-06 -2.31e-05 -1.8e-06 ] [ -2.35e-05 -4.6e-06 1.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233675998016e-14 -1.233675998016e-14 3.36457090368e-15 ] [ 2.130894905664e-14 1.329806595264e-14 -3.620919163008e-14 ] [ -6.72914180736e-15 2.64359142432e-14 -1.36185012768e-14 ] [ 4.8065298624e-15 1.714328984256e-14 1.874546646336e-14 ] [ 5.928053496960001e-15 -3.701027994048e-14 -2.88391791744e-15 ] [ -3.76511505888e-14 -7.370012455680001e-15 3.076179111936e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399929266158e-18 } }