{ "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" 3.567322999238968 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322999238968e-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" [ 2.48156224931038 2.26669394948827 2.24660847049917 2.28385435650117 2.26826939909506 2.28278645249102 2.20131292555744 2.31884080139262 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.48156224931038e-10 2.26669394948827e-10 2.24660847049917e-10 2.28385435650117e-10 2.26826939909506e-10 2.28278645249102e-10 2.20131292555744e-10 2.31884080139262e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.014762841637958105 0.40587755331432696 0.5182191774648569 0.5410651868090798 0.3711600929595602 0.41184679508505323 0.234366773964769 0.08744217341494459 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.01476284163795811 0.405877553314327 0.5182191774648569 0.5410651868090798 0.3711600929595602 0.4118467950850532 0.234366773964769 0.08744217341494459 ] } "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 ] } }