{ "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" 4.050000405311585 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050000405311585e-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" [ 2.83739601239021 2.59796408794074 2.59698468890338 2.5707211421425 2.60153743551312 2.60043150815579 2.57312704748776 2.54511499016598 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83739601239021e-10 2.59796408794074e-10 2.59698468890338e-10 2.5707211421425e-10 2.60153743551312e-10 2.60043150815579e-10 2.57312704748776e-10 2.545114990165981e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012646550809148099 0.5446355580082347 0.5367571524087247 0.5233410477639031 0.45873540809449115 0.4872586717106954 0.574040526249144 0.43872802564774804 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0126465508091481 0.5446355580082347 0.5367571524087247 0.5233410477639031 0.4587354080944911 0.4872586717106954 0.574040526249144 0.438728025647748 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }