{ "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" 4.0469995588064185 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.046999558806419e-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" [ 2.83376101481584 2.43468207068536 2.44366591083823 2.48596745475243 2.55854317931845 2.42792104139971 2.49049897226683 2.61192199372863 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.83376101481584e-10 2.43468207068536e-10 2.44366591083823e-10 2.48596745475243e-10 2.55854317931845e-10 2.42792104139971e-10 2.49049897226683e-10 2.61192199372863e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01268944652335804 0.4146090078755841 0.3863712737027768 0.40533439229386625 0.3102458750693827 0.3434691906496204 0.38392757666805716 0.42415425918883154 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01268944652335804 0.4146090078755841 0.3863712737027768 0.4053343922938663 0.3102458750693827 0.3434691906496204 0.3839275766680572 0.4241542591888315 ] } "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 ] } }