{ "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" 3.522514119744301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522514119744301e-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" [ 2.40434593516983 2.20243848581928 2.20939776802256 2.21355844848464 2.2151781103804 2.21952386514259 2.23601956251534 2.31112850508106 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.40434593516983e-10 2.20243848581928e-10 2.20939776802256e-10 2.21355844848464e-10 2.2151781103804e-10 2.21952386514259e-10 2.23601956251534e-10 2.31112850508106e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.4161387686550615 -2.0278258927492696 -1.1369001433509343 -0.9906632169166067 -0.4732454208340026 -0.2721082388560246 -1.55489969779477 -0.8093182748690693 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.416138768655061 -2.02782589274927 -1.136900143350934 -0.9906632169166067 -0.4732454208340026 -0.2721082388560246 -1.55489969779477 -0.8093182748690693 ] } "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 ] } }