{ "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" 3.560000121593475 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.560000121593475e-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" [ 2.49263754630329 2.29640275053208 2.31868873846168 2.29980138683271 2.35724737288389 2.32743276983298 2.28878312659075 2.41028009470569 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.49263754630329e-10 2.29640275053208e-10 2.31868873846168e-10 2.29980138683271e-10 2.35724737288389e-10 2.32743276983298e-10 2.28878312659075e-10 2.41028009470569e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.021495031888925466 1.4120016150927712 1.4442251585662533 1.462482583015528 1.3868105507699566 1.3946839925344776 1.3155942006671522 1.1880852580581769 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02149503188892547 1.412001615092771 1.444225158566253 1.462482583015528 1.386810550769957 1.394683992534478 1.315594200667152 1.188085258058177 ] } "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 ] } }