{ "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 ] [ -22.3676125 -200.0024874 -435.5555646 ] [ -41.1573002 113.9669899 516.4413485 ] [ -95.5954855 132.8202216 -72.942362 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.372380321090252e-08 -3.985311597443928e-08 -9.163499390560655e-08 ] [ 5.69891509820052e-08 3.945881437675834e-08 -7.414342596946089e-08 ] [ 1.342260297959079e-07 -7.456309018347573e-08 1.530516550731012e-07 ] [ -3.583686610586632e-08 -3.204393120541594e-07 -6.978369484107975e-07 ] [ -6.594126469896353e-08 1.82595248265094e-07 8.274302613981509e-07 ] [ -1.531608531839858e-07 2.128014555702221e-07 -1.168665480251695e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 167.08404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.676981448023213e-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 6.01e-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" [ [ -4.438029276179999e-14 -1.637424519948e-13 -1.847309659002e-13 ] [ 9.06831974844e-14 -1.74637253106e-14 9.629081570339999e-14 ] [ -7.514208413459999e-14 1.454776383672e-13 8.587666758239999e-14 ] [ -8.28325319778e-14 1.74637253106e-14 4.06952865036e-14 ] [ 1.070253991512e-13 3.82920215526e-14 3.8452239216e-14 ] [ 4.6463122386e-15 -2.0027207925e-14 -7.64238254418e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.539142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.489645022480803e-18 } }