{ "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" 2.8169555217027673 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.816955521702767e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.36549221809038 2.31126582131976 2.30982628997127 2.31935840381611 2.21095102988164 2.31774483517126 2.28530783268727 2.3745454783085 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.36549221809038e-10 2.31126582131976e-10 2.30982628997127e-10 2.31935840381611e-10 2.21095102988164e-10 2.31774483517126e-10 2.28530783268727e-10 2.3745454783085e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.993541115968703 -3.369971895979563 -2.881809501314446 -1.5669690046450888 -2.4243629606505825 -1.7482463755997866 -3.550324230148697 -2.5231139084048837 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.993541115968703 -3.369971895979563 -2.881809501314446 -1.566969004645089 -2.424362960650583 -1.748246375599787 -3.550324230148697 -2.523113908404884 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }