{ "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" 2.8664998710155487 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.866499871015549e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.45039962305126 2.22956030933167 2.22986358481243 2.21902563367065 2.23170957532 2.23022766999162 2.22681891907582 2.26676552132543 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.45039962305126e-10 2.22956030933167e-10 2.22986358481243e-10 2.21902563367065e-10 2.23170957532e-10 2.23022766999162e-10 2.22681891907582e-10 2.26676552132543e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01621231526345193 1.2970712832219236 1.346802597869076 1.3914652488584716 1.3330470338969487 1.1943669887244048 1.0376064100983957 0.4839408077212393 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01621231526345193 1.297071283221924 1.346802597869076 1.391465248858472 1.333047033896949 1.194366988724405 1.037606410098396 0.4839408077212393 ] } "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 ] } }