{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8445783 -1.0513151 1.0483624 ] [ -3.4294143 -2.7879111 -1.4145426 ] [ -4.780039 1.4190147 3.2225845 ] [ -0.4985118 0.49584 -0.1544265 ] [ -0.3637091 -0.2487274 -2.397601 ] [ 5.6836837 -1.2277191 2.5442818 ] [ 1.5434122 3.400818 -2.8486586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.955340227495009e-09 -1.684392474314014e-09 1.679661727405778e-09 ] [ -5.494527414497198e-09 -4.46672598528881e-09 -2.266347082845646e-09 ] [ -7.658466732312212e-09 2.273512176911526e-09 5.163149544452458e-09 ] [ -7.987039511529254e-10 7.944232556574721e-10 -2.474185279319712e-10 ] [ -5.827262167922092e-10 -3.985052252323699e-10 -3.8413802682067e-09 ] [ 9.10626514416204e-09 -1.967022838929617e-09 4.076388816686941e-09 ] [ 2.472818943097494e-09 5.448711091195814e-09 -4.564054209560859e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.288056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.808545941748116e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8728413 1.2723956 2.1490535 ] [ 2.230801 0.3359467 4.200075 ] [ 2.1636027 2.5235687 5.1576856 ] [ 1.8081406 3.3767928 3.0702389 ] [ 4.1454075 1.3761923 1.9581858 ] [ 4.3555325 1.6072762 4.4246899 ] [ 4.0781594 3.5637866 2.9158633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8728413e-10 1.2723956e-10 2.1490535e-10 ] [ 2.230801e-10 3.359467e-11 4.200075e-10 ] [ 2.1636027e-10 2.5235687e-10 5.1576856e-10 ] [ 1.8081406e-10 3.3767928e-10 3.0702389e-10 ] [ 4.1454075e-10 1.3761923e-10 1.9581858e-10 ] [ 4.3555325e-10 1.6072762e-10 4.4246899e-10 ] [ 4.0781594e-10 3.5637866e-10 2.9158633e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -4e-06 -9.2e-06 ] [ -7.2e-06 -1.6e-05 -1.23e-05 ] [ -2.55e-05 -3.8e-06 3.08e-05 ] [ 2.22e-05 6e-07 1.36e-05 ] [ -7.5e-06 -1.17e-05 -1.99e-05 ] [ 9.4e-06 1.74e-05 2.97e-05 ] [ 1.07e-05 1.75e-05 -3.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 -6.4087064832e-15 -1.474002491136e-14 ] [ -1.153567166976e-14 -2.56348259328e-14 -1.970677243584e-14 ] [ -4.08555038304e-14 -6.08827115904e-15 4.934703992064001e-14 ] [ 3.556832098176e-14 9.6130597248e-16 2.178960204288e-14 ] [ -1.2016324656e-14 -1.874546646336e-14 -3.188331475392e-14 ] [ 1.506046023552e-14 2.787787320192e-14 4.758464563776e-14 ] [ 1.714328984256e-14 2.8038090864e-14 -5.239117550016001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }