{ "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" 3.519999980926514 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519999980926514e-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" [ 2.46594228153367 2.17515059595633 2.17251471216982 2.16678653852103 2.18601742350218 2.17198393501874 2.06660421568588 2.15827750537795 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46594228153367e-10 2.17515059595633e-10 2.17251471216982e-10 2.16678653852103e-10 2.18601742350218e-10 2.17198393501874e-10 2.06660421568588e-10 2.15827750537795e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022170329048000724 1.4662410420499585 1.459779468931056 1.51276101136962 1.4543931990188401 1.4022058628346858 1.4308241223962488 1.4388767270912526 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02217032904800072 1.466241042049959 1.459779468931056 1.51276101136962 1.45439319901884 1.402205862834686 1.430824122396249 1.438876727091253 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }