{ "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" 4.1529443860054025 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.152944386005403e-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" [ 2.91035721211879 2.66072359011604 2.67308355394022 2.63438268670168 2.69553005759727 2.66138412028277 2.6271949434161 2.68989191424304 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.91035721211879e-10 2.66072359011604e-10 2.67308355394022e-10 2.63438268670168e-10 2.69553005759727e-10 2.66138412028277e-10 2.6271949434161e-10 2.68989191424304e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.010857565669936514 0.5790377244684884 0.5672601339433722 0.566831967963154 0.5324219857784309 0.5311952980597318 0.5737871360394284 0.5698498132397338 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01085756566993651 0.5790377244684884 0.5672601339433722 0.566831967963154 0.5324219857784309 0.5311952980597318 0.5737871360394284 0.5698498132397338 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "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 ] } }