{ "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" 3.647307395935058 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.647307395935058e-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" [ 2.5575869491876 2.30062662553729 2.2986893840095 2.29373871078924 2.33177697101794 2.25938850520038 2.26645151896938 2.30441940287148 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5575869491876e-10 2.30062662553729e-10 2.2986893840095e-10 2.29373871078924e-10 2.33177697101794e-10 2.25938850520038e-10 2.26645151896938e-10 2.30441940287148e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01932416346681865 1.4112258390430157 1.4374729234644446 1.489714282289494 1.363186712288692 1.4188489328695304 1.3416775299350465 1.2442819910209684 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01932416346681865 1.411225839043016 1.437472923464445 1.489714282289494 1.363186712288692 1.41884893286953 1.341677529935047 1.244281991020968 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }