{ "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" 3.147414512932301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.147414512932301e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.72269104591842 2.40249079348215 2.46047515266684 2.37248214435196 2.44480007503575 2.45996423991446 2.49798201682672 2.49026041684046 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.72269104591842e-10 2.40249079348215e-10 2.46047515266684e-10 2.37248214435196e-10 2.44480007503575e-10 2.45996423991446e-10 2.49798201682672e-10 2.49026041684046e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.021546269378951672 1.9886093261950866 2.003047594753386 1.921672059849937 1.9381097878720785 1.869790188716471 1.6728609001483412 0.6321233780126071 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02154626937895167 1.988609326195087 2.003047594753386 1.921672059849937 1.938109787872079 1.869790188716471 1.672860900148341 0.6321233780126071 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "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 ] } }