{ "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" 2.8664998710155487 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.866499871015549e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.26367853900929 2.22518690592069 2.21723681398201 2.22119138882587 2.22785861485338 2.21765621132327 2.2090974049069 2.21703024293322 2.23378658907035 2.22203698092364 2.2172277148283 2.23748894366152 2.2158495205751 2.21656089556678 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.26367853900929e-10 2.22518690592069e-10 2.21723681398201e-10 2.22119138882587e-10 2.22785861485338e-10 2.21765621132327e-10 2.2090974049069e-10 2.21703024293322e-10 2.23378658907035e-10 2.22203698092364e-10 2.2172277148283e-10 2.23748894366152e-10 2.2158495205751e-10 2.21656089556678e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015017721248283678 1.3857177592112278 1.4873691821139425 1.506865910119604 1.4547577168571566 1.389994237691054 1.3706606419828742 1.4493679821579863 1.3812847019854553 1.5865651016323328 1.5795789335036996 1.442371316998555 1.5497605557720895 1.5061456908468829 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01501772124828368 1.385717759211228 1.487369182113943 1.506865910119604 1.454757716857157 1.389994237691054 1.370660641982874 1.449367982157986 1.381284701985455 1.586565101632333 1.5795789335037 1.442371316998555 1.549760555772089 1.506145690846883 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }