{ "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" 4.080053436756135 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053436756135e-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" [ 2.8569940313384 2.60420269680187 2.58548979340897 2.60276951428304 2.64362113975498 2.62260891781629 2.60539186309816 2.69050370797574 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.8569940313384e-10 2.60420269680187e-10 2.58548979340897e-10 2.60276951428304e-10 2.64362113975498e-10 2.62260891781629e-10 2.60539186309816e-10 2.69050370797574e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014573331857281635 0.6014597583497766 0.5949930097160533 0.5937934368613452 0.5617388201397647 0.5356633084608856 0.5728426649539696 0.5737889922258586 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01457333185728163 0.6014597583497766 0.5949930097160533 0.5937934368613452 0.5617388201397647 0.5356633084608856 0.5728426649539696 0.5737889922258586 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "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 ] } }