{ "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" [ [ 2.771519459655045e-09 -4.343518763366953e-09 2.333700825589795e-09 ] [ -1.351005474786791e-09 1.832691384294221e-09 -4.094678303684022e-09 ] [ 3.956225570126942e-09 2.308357756019642e-09 -1.385318810821478e-09 ] [ 8.464414444403098e-10 -7.36147926299762e-09 -3.358231459292117e-08 ] [ -1.144259962768111e-09 -8.739353560150549e-09 4.997667802910689e-08 ] [ -5.078921036667395e-09 1.630330244620126e-08 -1.324806698705236e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1487503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.145356059859699e-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" [ [ 7.866687208128001e-14 -2.8038090864e-14 2.050786074624e-14 ] [ 2.114873139456e-14 7.738513078464e-14 -1.666263685632e-14 ] [ -7.802600143296e-14 5.928053496960001e-15 5.431378744512e-14 ] [ -4.389963940992e-14 -7.353990689472e-14 -4.64631220032e-14 ] [ 5.255139316223999e-14 4.181680980288e-14 6.392684716992e-14 ] [ -3.04413557952e-14 -2.339177866368e-14 -7.562273650176e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.606665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.340245717085763e-18 } }