{ "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" 3.628442153334618 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.628442153334618e-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" [ 2.44188191650618 2.24698891579774 2.27312060095667 2.25943312183115 2.28122653570845 2.27211092211538 2.26793775213917 2.36102700052107 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44188191650618e-10 2.24698891579774e-10 2.27312060095667e-10 2.25943312183115e-10 2.28122653570845e-10 2.27211092211538e-10 2.26793775213917e-10 2.36102700052107e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4790161677936586 -3.635818268749306 -3.0777552473977856 -1.3932786953975416 -2.017476388860552 -1.4422053554677685 -4.285968276494049 -1.1873703519539298 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.479016167793659 -3.635818268749306 -3.077755247397786 -1.393278695397542 -2.017476388860552 -1.442205355467769 -4.285968276494049 -1.18737035195393 ] } "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 ] } }