{ "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" 2.855312779545784 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855312779545784e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.46832457533479 2.25874861412332 2.27345913754166 2.21187659607683 2.23388038646969 2.27827556224224 2.26791472273435 2.24499877072516 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46832457533479e-10 2.25874861412332e-10 2.27345913754166e-10 2.21187659607683e-10 2.23388038646969e-10 2.27827556224224e-10 2.26791472273435e-10 2.24499877072516e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01522893625222937 1.1528228830932965 1.1870833060863493 1.136786286897796 1.1317872104221542 1.0592082630847748 0.9043045792210608 0.32020433113668906 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01522893625222937 1.152822883093297 1.187083306086349 1.136786286897796 1.131787210422154 1.059208263084775 0.9043045792210608 0.3202043311366891 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }