{ "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" 3.604343503713608 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604343503713608e-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" [ 2.52587674601792 2.23041772369206 2.30645583752247 2.27962170052009 2.26093300616147 2.2640351151856 2.17738230714947 2.40489660784688 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52587674601792e-10 2.23041772369206e-10 2.30645583752247e-10 2.27962170052009e-10 2.26093300616147e-10 2.2640351151856e-10 2.17738230714947e-10 2.40489660784688e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020222823664621324 -0.648068370357154 0.7484920843979066 0.8415358067128452 0.7773573952978099 0.7892003077844884 -0.9804544343372158 0.4065746354020614 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02022282366462132 -0.648068370357154 0.7484920843979066 0.8415358067128452 0.7773573952978099 0.7892003077844884 -0.9804544343372158 0.4065746354020614 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }