{ "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" 4.0419338792562485 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.041933879256249e-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" [ 2.79390664430466 2.54553886386921 2.55557590083803 2.52596988886824 2.53822904284689 2.54558701164963 2.53518006670358 2.63970373695761 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.79390664430466e-10 2.54553886386921e-10 2.55557590083803e-10 2.52596988886824e-10 2.53822904284689e-10 2.54558701164963e-10 2.53518006670358e-10 2.63970373695761e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012762502739465961 0.6461090935864335 0.651102258632404 0.6619724052423982 0.6617438259605327 0.6822172833219157 0.6895434273132595 0.6357045098102593 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01276250273946596 0.6461090935864335 0.651102258632404 0.6619724052423982 0.6617438259605327 0.6822172833219157 0.6895434273132595 0.6357045098102593 ] } "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 ] } }