{ "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" 3.658364951610565 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364951610565e-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" [ 2.38582412224591 2.20575948151345 2.16609558040166 2.23045192979585 2.24079440682031 2.22055099119013 2.20413643973911 2.32286015055334 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.38582412224591e-10 2.20575948151345e-10 2.16609558040166e-10 2.23045192979585e-10 2.24079440682031e-10 2.22055099119013e-10 2.20413643973911e-10 2.32286015055334e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4821001182244897 -4.4619033829791155 -4.535245775401731 -2.141045221110998 -3.1628513099258555 -2.1149763382637223 -6.332544485252138 -2.7825328099502467 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.48210011822449 -4.461903382979115 -4.535245775401731 -2.141045221110998 -3.162851309925856 -2.114976338263722 -6.332544485252138 -2.782532809950247 ] } "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 ] } }