{ "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" 2.86696694791317 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.86696694791317e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.33664344747802 2.28049502589618 2.26499053525167 2.21045567729714 2.23478904038228 2.27666934428234 2.27820814245835 2.25208561464817 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.33664344747802e-10 2.28049502589618e-10 2.26499053525167e-10 2.21045567729714e-10 2.23478904038228e-10 2.27666934428234e-10 2.27820814245835e-10 2.25208561464817e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -3.4932384567039763 -3.9166510242076518 -3.3484153269940404 -2.248262100026917 -2.850695881608897 -2.7303940564589557 -3.8907551120471546 -3.4909634927473827 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -3.493238456703976 -3.916651024207652 -3.34841532699404 -2.248262100026917 -2.850695881608897 -2.730394056458956 -3.890755112047155 -3.490963492747383 ] } "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 ] } }