{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 4.031999975442886 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.031999975442886e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.81226466359724 2.53770548951406 2.49718107583249 2.52973683293551 2.57165731326984 2.59859541254013 2.64464433703379 2.58797775153685 2.60913049982026 2.56322471547534 2.55502903326074 2.58424494891712 2.54156415415436 2.63057506483331 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.81226466359724e-10 2.53770548951406e-10 2.49718107583249e-10 2.52973683293551e-10 2.57165731326984e-10 2.59859541254013e-10 2.64464433703379e-10 2.58797775153685e-10 2.60913049982026e-10 2.56322471547534e-10 2.55502903326074e-10 2.58424494891712e-10 2.54156415415436e-10 2.63057506483331e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.011788125867584334 0.4157131525719201 0.49325237565379854 0.5014684469595747 0.47978237161285126 0.43459391221046534 0.2134063595844252 0.3947175940860155 0.4982122671010848 0.5735717527940869 0.5637652156230464 0.5433982857491464 0.5459498738414735 0.5275400563340844 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01178812586758433 0.4157131525719201 0.4932523756537985 0.5014684469595747 0.4797823716128513 0.4345939122104653 0.2134063595844252 0.3947175940860155 0.4982122671010848 0.5735717527940869 0.5637652156230464 0.5433982857491464 0.5459498738414735 0.5275400563340844 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "tilt-angle" { "source-value" [ 0.0 23.07391806563098 34.04773236999154 38.572650822227786 44.41530859719298 52.20027756457278 62.96430821058772 69.97282751604145 78.46304096718453 88.83061719438597 91.16938280561406 101.5369590328155 110.02717248395858 117.03569178941231 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4027158415806617 0.5942450326942046 0.6732197580699728 0.7751933733103614 0.9110667139567219 1.098934489515255 1.221256227085009 1.369438406004566 1.550386746620723 1.591205906969071 1.772154247585227 1.920336426504785 2.042658164074539 ] } "tilt-axis" { "source-value" [ 1 1 2 ] } }