{ "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" 3.613580609858036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613580609858036e-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" [ 2.53242293368313 2.28834507422605 2.26826443988909 2.29477918485395 2.331455417051 2.31842400349371 2.32079657211974 2.41501231733661 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53242293368313e-10 2.28834507422605e-10 2.26826443988909e-10 2.29477918485395e-10 2.331455417051e-10 2.31842400349371e-10 2.32079657211974e-10 2.41501231733661e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016784388194621865 0.9230639832450852 0.9334849498505505 0.9484460695622158 0.8969279595349048 0.9025274469085003 0.9067580950547222 0.7325289467600203 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01678438819462186 0.9230639832450852 0.9334849498505505 0.9484460695622158 0.8969279595349048 0.9025274469085003 0.9067580950547222 0.7325289467600203 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }