{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5155346 -0.2678077 -0.5545656 ] [ -1.0975898 0.327883 5.9828251 ] [ -2.607841 1.2104281 -2.1708476 ] [ -0.7114293 -5.0922789 -2.1572276 ] [ 1.9404794 -0.523517 -3.2720302 ] [ -1.7475162 3.2892395 0.5947828 ] [ 5.7394315 1.056053 1.577063 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.42815410413348e-09 -4.290752358102202e-10 -8.885120390199244e-10 ] [ -1.758532716788548e-09 5.253264769577664e-10 9.585542501555424e-09 ] [ -4.178221880963693e-09 1.939319602979364e-09 -3.47808127203979e-09 ] [ -1.13983539181211e-09 -8.158730200173141e-09 -3.456259626464494e-09 ] [ 3.108990727824012e-09 -8.387666979913537e-10 -5.242370288991548e-09 ] [ -2.799829600109257e-09 5.269942627111881e-09 9.529470966139622e-10 ] [ 9.195582965983075e-09 1.691983426925702e-09 2.526733468128711e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.45554 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.597774119543924e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.826723 2.4621294 1.7268823 ] [ 2.4906967 2.5971165 4.9133753 ] [ 1.2645129 3.9731046 3.4453019 ] [ 3.4768749 1.3878195 3.093827 ] [ 4.0776769 3.2799617 1.626637 ] [ 3.2835163 5.094079 2.9771874 ] [ 4.5808313 3.3821954 4.0412061 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.826723e-10 2.4621294e-10 1.7268823e-10 ] [ 2.4906967e-10 2.5971165e-10 4.9133753e-10 ] [ 1.2645129e-10 3.9731046e-10 3.4453019e-10 ] [ 3.4768749e-10 1.3878195e-10 3.093827e-10 ] [ 4.0776769e-10 3.2799617e-10 1.626637e-10 ] [ 3.2835163e-10 5.094079e-10 2.9771874e-10 ] [ 4.5808313e-10 3.3821954e-10 4.0412061e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 1.07e-05 1.2e-05 ] [ -2.9e-05 -1.75e-05 -3.5e-06 ] [ -1.94e-05 -3e-06 2.6e-05 ] [ 2.56e-05 -1.46e-05 3.8e-06 ] [ 1.13e-05 -1.32e-05 -1.14e-05 ] [ 2.17e-05 3.37e-05 -1.7e-05 ] [ -1.02e-05 3.9e-06 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 1.714328984256e-14 1.92261194496e-14 ] [ -4.64631220032e-14 -2.8038090864e-14 -5.6076181728e-15 ] [ -3.108222644352e-14 -4.8065298624e-15 4.16565921408e-14 ] [ 4.101572149248001e-14 -2.339177866368e-14 6.08827115904e-15 ] [ 1.810459581504e-14 -2.114873139456e-14 -1.826481347712e-14 ] [ 3.476723267136e-14 5.399335212096e-14 -2.72370025536e-14 ] [ -1.634220153216e-14 6.24848882112e-15 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }