{ "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" 2.860342010855675 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.860342010855675e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.3988536641086 2.35611684391725 2.38286857223146 2.37397883273549 2.38463869134618 2.37748223770402 2.3671658339885 2.34404750630019 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.3988536641086e-10 2.35611684391725e-10 2.38286857223146e-10 2.37397883273549e-10 2.38463869134618e-10 2.37748223770402e-10 2.3671658339885e-10 2.34404750630019e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -4.083803492296875 -5.551582202158605 -4.805241701302747 -3.0121403218553344 -3.71908563112938 -2.8885744106033178 -5.499629167124313 -1.3046601114923766 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -4.083803492296875 -5.551582202158605 -4.805241701302747 -3.012140321855334 -3.71908563112938 -2.888574410603318 -5.499629167124313 -1.304660111492377 ] } "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 ] } }