{ "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" 3.5196185708045964 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519618570804597e-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" [ 2.46589361809108 2.21773139246171 2.19785476496313 2.23293338241107 2.21698667092864 2.22097447888013 2.18583321038266 2.28030304139099 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46589361809108e-10 2.21773139246171e-10 2.19785476496313e-10 2.23293338241107e-10 2.21698667092864e-10 2.22097447888013e-10 2.18583321038266e-10 2.28030304139099e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02217744461922494 1.2659128257425534 1.2800289196492396 1.2758511714547625 1.228431749293931 1.236713878031702 1.2503591693535252 1.3141719684355508 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02217744461922494 1.265912825742553 1.28002891964924 1.275851171454762 1.228431749293931 1.236713878031702 1.250359169353525 1.314171968435551 ] } "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 ] } }