{ "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" 3.520425826311112 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.520425826311112e-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" [ 2.46871607925552 2.24108165963555 2.27795308778947 2.24614821365167 2.27532663143419 2.29486070102241 2.24745001382248 2.33395447465821 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46871607925552e-10 2.24108165963555e-10 2.27795308778947e-10 2.24614821365167e-10 2.27532663143419e-10 2.29486070102241e-10 2.24745001382248e-10 2.33395447465821e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012242088626911585 1.3257816609010598 1.2772650540423318 1.3117889281384607 1.2195525280673594 1.1838712238345102 1.2637914723090686 1.1794401078183447 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01224208862691159 1.32578166090106 1.277265054042332 1.311788928138461 1.219552528067359 1.18387122383451 1.263791472309069 1.179440107818345 ] } "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 ] } }