{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 39.7732696 -24.8743585 -57.1940646 ] [ 35.5698303 24.6282548 -46.2766866 ] [ 83.7772983 -46.5386204 95.5273294 ] [ -22.3676126 -200.0024869 -435.555569 ] [ -41.1573001 113.9669893 516.4413529 ] [ -95.5954855 132.8202216 -72.9423621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.372380268589536e-08 -3.985311564609775e-08 -9.16349931506449e-08 ] [ 5.698915051248345e-08 3.945881405166538e-08 -7.414342535860864e-08 ] [ 1.342260286900476e-07 -7.456308956916596e-08 1.530516538121405e-07 ] [ -3.58368659708315e-08 -3.204393086130383e-07 -6.978369497110412e-07 ] [ -6.59412639954695e-08 1.825952457994238e-07 8.274302616307022e-07 ] [ -1.531608519221254e-07 2.128014538169952e-07 -1.16866547222548e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 167.08404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.67698142596812e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.3799982 0.3382553 1.7663397 ] [ -0.0397115 2.8801611 0.5389015 ] [ 0.6170826 3.0645512 3.305913 ] [ 3.1037183 0.2350277 0.9208675 ] [ 2.7878686 1.2377641 3.569728 ] [ 2.4491893 2.4485585 -0.6482334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.799982e-11 3.382553e-11 1.7663397e-10 ] [ -3.97115e-12 2.8801611e-10 5.389015e-11 ] [ 6.170826e-11 3.0645512e-10 3.305913e-10 ] [ 3.1037183e-10 2.350277e-11 9.208675e-11 ] [ 2.7878686e-10 1.2377641e-10 3.569728e-10 ] [ 2.4491893e-10 2.4485585e-10 -6.482334e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.77e-05 -0.0001022 -0.0001153 ] [ 5.66e-05 -1.09e-05 6e-05 ] [ -4.69e-05 9.08e-05 5.36e-05 ] [ -5.17e-05 1.09e-05 2.54e-05 ] [ 6.68e-05 2.39e-05 2.4e-05 ] [ 2.9e-06 -1.25e-05 -4.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.438029239616e-14 -1.6374245064576e-13 -1.8473096437824e-13 ] [ 9.068319673728001e-14 -1.746372516672e-14 9.6130597248e-14 ] [ -7.514208351552e-14 1.4547763716864e-13 8.587666687488e-14 ] [ -8.283253129536002e-14 1.746372516672e-14 4.069528616832e-14 ] [ 1.0702539826944e-13 3.829202123712e-14 3.84522388992e-14 ] [ 4.646312200320001e-15 -2.002720776e-14 -7.642382481215999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.539142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.489645001969136e-18 } }