{ "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" 3.62842905521393 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.62842905521393e-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" [ 2.44195415974225 2.26656291355943 2.26143799309101 2.22295807906132 2.28162277166251 2.27852207736662 2.27848633755373 2.36058405811711 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44195415974225e-10 2.26656291355943e-10 2.26143799309101e-10 2.22295807906132e-10 2.28162277166251e-10 2.27852207736662e-10 2.27848633755373e-10 2.36058405811711e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.0079008663469504 -3.0004935989407726 -3.265469192698478 -1.3398142603042646 -2.109370776443339 -1.4414719384535075 -4.414530676771742 -1.1866464198249076 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.00790086634695 -3.000493598940773 -3.265469192698478 -1.339814260304265 -2.109370776443339 -1.441471938453508 -4.414530676771742 -1.186646419824908 ] } "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 ] } }