{ "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" 4.0499994456768045 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.049999445676805e-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" [ 2.83740975009069 2.52345534069423 2.53970709083892 2.43204407704822 2.51248018319724 2.51388009773005 2.47918894413332 2.44853259671225 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83740975009069e-10 2.52345534069423e-10 2.53970709083892e-10 2.43204407704822e-10 2.51248018319724e-10 2.51388009773005e-10 2.47918894413332e-10 2.44853259671225e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012414781291786013 0.5076679826250253 0.5152417763633745 0.5297612551867337 0.5135930732018645 0.48254855733974333 0.5151395133210962 0.5221243205776155 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01241478129178601 0.5076679826250253 0.5152417763633745 0.5297612551867337 0.5135930732018645 0.4825485573397433 0.5151395133210962 0.5221243205776155 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "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 ] } }