{ "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" 3.521521747112274 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521521747112274e-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" [ 2.46978392097069 2.19418481763319 2.18411867502648 2.20346388046309 2.26770958633208 2.22550111179073 2.2156444184588 2.23317076580013 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46978392097069e-10 2.19418481763319e-10 2.18411867502648e-10 2.20346388046309e-10 2.26770958633208e-10 2.22550111179073e-10 2.2156444184588e-10 2.23317076580013e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014432106691308372 1.3577838634232666 1.350020338108075 1.3692822565821194 1.2735258394975675 1.3210603887090393 1.3354104349174551 1.20893742051282 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01443210669130837 1.357783863423267 1.350020338108075 1.369282256582119 1.273525839497567 1.321060388709039 1.335410434917455 1.20893742051282 ] } "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 ] } }