{ "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" 3.605663573741914 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.605663573741914e-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" [ 2.43079537888396 2.30946727997721 2.28631263837871 2.31644506118604 2.28054162820239 2.31259669299878 2.31793426383179 2.3716220923799 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43079537888396e-10 2.30946727997721e-10 2.28631263837871e-10 2.31644506118604e-10 2.28054162820239e-10 2.31259669299878e-10 2.31793426383179e-10 2.3716220923799e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.6411407589762987 -7.719938701644044 -6.745441099159326 -3.6884450067464636 -4.605367652041124 -2.5343527194289655 -5.034445943097217 -3.704010336312114 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.641140758976299 -7.719938701644044 -6.745441099159326 -3.688445006746464 -4.605367652041124 -2.534352719428965 -5.034445943097217 -3.704010336312114 ] } "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 ] } }