{ "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" 3.5213917642831802 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52139176428318e-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" [ 2.47083139443238 2.20913899973939 2.22031162628969 2.22255824947661 2.28394002910951 2.21524891031147 2.21742119818591 2.36294033674659 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47083139443238e-10 2.20913899973939e-10 2.22031162628969e-10 2.22255824947661e-10 2.28394002910951e-10 2.21524891031147e-10 2.21742119818591e-10 2.36294033674659e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02221929714066609 1.4450294586563435 1.4475606972472903 1.446928292852559 1.3696746715383155 1.3185647566250605 1.3562369502261928 1.0462316625333865 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02221929714066609 1.445029458656343 1.44756069724729 1.446928292852559 1.369674671538315 1.31856475662506 1.356236950226193 1.046231662533387 ] } "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 ] } }