{ "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" [ [ 1.7298464 -2.7110112 1.4565815 ] [ -0.8432313 1.143876 -2.5556972 ] [ 2.4692818 1.4407636 -0.864648 ] [ 0.5283072 -4.594674 -20.9604323 ] [ -0.7141909 -5.4546755 31.1929892 ] [ -3.1700132 10.1757211 -8.2687931 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.771519482489018e-09 -4.343518799152301e-09 2.333700844816671e-09 ] [ -1.351005485917444e-09 1.832691399393384e-09 -4.094678337419224e-09 ] [ 3.956225602721461e-09 2.308357775037722e-09 -1.385318822234832e-09 ] [ 8.464414514139646e-10 -7.361479323647316e-09 -3.358231486959887e-08 ] [ -1.14425997219543e-09 -8.739353632152264e-09 4.997667844085435e-08 ] [ -5.078921078511568e-09 1.630330258052078e-08 -1.324806709620042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1487503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.145356069296049e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2094837 0.8795365 1.7957879 ] [ -0.1832911 2.2775819 -0.2658752 ] [ 1.1436121 2.6455548 3.3284433 ] [ 2.6728447 0.5881167 1.3389556 ] [ 3.1976563 1.2211442 3.1416036 ] [ 2.2578396 2.5923837 0.1146011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.094837e-11 8.795365e-11 1.7957879e-10 ] [ -1.832911e-11 2.2775819e-10 -2.658752e-11 ] [ 1.1436121e-10 2.6455548e-10 3.3284433e-10 ] [ 2.6728447e-10 5.881167000000001e-11 1.3389556e-10 ] [ 3.1976563e-10 1.2211442e-10 3.1416036e-10 ] [ 2.2578396e-10 2.5923837e-10 1.146011e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.91e-05 -1.75e-05 1.28e-05 ] [ 1.32e-05 4.83e-05 -1.04e-05 ] [ -4.87e-05 3.7e-06 3.39e-05 ] [ -2.74e-05 -4.59e-05 -2.9e-05 ] [ 3.28e-05 2.61e-05 3.99e-05 ] [ -1.9e-05 -1.46e-05 -4.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.866687272939998e-14 -2.8038091095e-14 2.05078609152e-14 ] [ 2.11487315688e-14 7.73851314222e-14 -1.66626369936e-14 ] [ -7.802600207579999e-14 5.9280535458e-15 5.431378789259999e-14 ] [ -4.389963977159999e-14 -7.353990750059999e-14 -4.6463122386e-14 ] [ 5.255139359519999e-14 4.18168101474e-14 6.392684769659999e-14 ] [ -3.0441356046e-14 -2.33917788564e-14 -7.562273712480001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.606665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.340245736366561e-18 } }