{ "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" [ [ 1.3809595 -1.3359155 0.866307 ] [ -0.1211941 0.6003026 -0.338647 ] [ 1.0327723 0.0292891 -1.0628403 ] [ 1.1615217 -9.8328765 -17.5484835 ] [ -0.1738406 -4.8702947 32.1377975 ] [ -3.2802188 15.409495 -14.0541336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.212541043400323e-09 -2.140372599098427e-09 1.387976833270638e-09 ] [ -1.941743551986594e-10 9.617907990494484e-10 -5.425723105741978e-10 ] [ 1.654683647302438e-09 4.69263116508894e-11 -1.70285789433355e-09 ] [ 1.860962927623958e-09 -1.57540049733077e-08 -2.811577022583454e-08 ] [ -2.785233473605404e-10 -7.80307236903404e-09 5.149042822272361e-08 ] [ -5.255489915767519e-09 2.468873283073983e-08 -2.25172044650343e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1337007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.225095307489444e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3005077 0.5648533 2.3571045 ] [ 0.2243988 1.9622444 0.2962831 ] [ 1.4634108 2.844393 2.3542591 ] [ 2.4213946 0.8237911 0.9487774 ] [ 2.5061832 0.8667312 3.4265317 ] [ 2.3822503 3.1423048 0.0705605 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.005077e-11 5.648533e-11 2.3571045e-10 ] [ 2.243988e-11 1.9622444e-10 2.962831000000001e-11 ] [ 1.4634108e-10 2.844393e-10 2.3542591e-10 ] [ 2.4213946e-10 8.237911000000001e-11 9.487774e-11 ] [ 2.5061832e-10 8.667312e-11 3.4265317e-10 ] [ 2.3822503e-10 3.1423048e-10 7.05605e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 4.67e-05 -1.63e-05 ] [ -1.33e-05 -2.2e-05 8.7e-06 ] [ -3.13e-05 -2.1e-06 1.92e-05 ] [ 2.21e-05 -1.32e-05 -2.58e-05 ] [ 2.37e-05 4.1e-06 -5.8e-06 ] [ 1.13e-05 -1.34e-05 2.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0027207925e-14 7.482164880779999e-14 -2.61154791342e-14 ] [ -2.13089492322e-14 -3.5247885948e-14 1.39389367158e-14 ] [ -5.014812864419999e-14 -3.364570931399999e-15 3.076179137279999e-14 ] [ 3.54081036114e-14 -2.11487315688e-14 -4.133615715719999e-14 ] [ 3.79715862258e-14 6.568924199399999e-15 -9.2926244772e-15 ] [ 1.81045959642e-14 -2.14691668956e-14 3.22037503434e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.045537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891213772938245e-18 } }