{ "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" 3.604343503713608 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604343503713608e-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" [ 2.27879632856608 2.40597420313543 2.26678256496799 2.3454621449636 2.32494329470828 2.33883085618978 2.33015686207162 2.33457859928992 2.2838349836213 2.29013343201472 2.2081536480232 2.26992473672033 2.2552824907258 2.19310031203395 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.27879632856608e-10 2.40597420313543e-10 2.26678256496799e-10 2.3454621449636e-10 2.32494329470828e-10 2.33883085618978e-10 2.33015686207162e-10 2.33457859928992e-10 2.2838349836213e-10 2.29013343201472e-10 2.2081536480232e-10 2.26992473672033e-10 2.2552824907258e-10 2.19310031203395e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018680764161217327 -0.7494571094355499 0.5086431758012548 0.6424621696156075 0.8981062596715549 0.6792800267272697 0.3513295239881656 0.5408962823161991 0.9316371292342371 1.0394355582109625 0.9121057837621743 1.114265215736122 1.0438540081890555 0.9608525178419248 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01868076416121733 -0.7494571094355499 0.5086431758012548 0.6424621696156075 0.8981062596715549 0.6792800267272697 0.3513295239881656 0.5408962823161991 0.9316371292342371 1.039435558210962 0.9121057837621743 1.114265215736122 1.043854008189055 0.9608525178419248 ] } "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" [ "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 ] } }