{ "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" 3.6473073810338983 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.647307381033899e-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" [ 2.55758694694994 2.30062416345035 2.29868942970033 2.29129892249443 2.33177648665037 2.25938818890507 2.26645124470405 2.30441939097577 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.55758694694994e-10 2.30062416345035e-10 2.29868942970033e-10 2.29129892249443e-10 2.33177648665037e-10 2.25938818890507e-10 2.26645124470405e-10 2.30441939097577e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019322145228785084 1.4112225257295818 1.4374700289755056 1.4934336349457145 1.363523042353339 1.418853508676927 1.3416744964933847 1.2892312616565402 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01932214522878508 1.411222525729582 1.437470028975506 1.493433634945714 1.363523042353339 1.418853508676927 1.341674496493385 1.28923126165654 ] } "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 ] } }