{ "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" 3.611098557710648 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.611098557710648e-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" [ 2.52963429548995 2.2728736276486 2.29884718153045 2.29629486470343 2.27695642193792 2.30177781004952 2.22788022424681 2.42079965685278 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52963429548995e-10 2.2728736276486e-10 2.29884718153045e-10 2.29629486470343e-10 2.27695642193792e-10 2.30177781004952e-10 2.22788022424681e-10 2.42079965685278e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020127269412851135 0.48858553801768034 0.6848930031041159 0.8131795212304346 0.7256197644685765 0.6792966585496046 -1.2417734939183365 0.2528328158360334 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02012726941285113 0.4885855380176803 0.6848930031041159 0.8131795212304346 0.7256197644685765 0.6792966585496046 -1.241773493918336 0.2528328158360334 ] } "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 ] } }