{ "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" 3.628442171216013 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.628442171216013e-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" [ 2.47587902918583 2.27531833746936 2.25241980352602 2.26629844997198 2.2772092057141 2.29351461639993 2.27491527532447 2.28739532014293 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47587902918583e-10 2.27531833746936e-10 2.25241980352602e-10 2.26629844997198e-10 2.2772092057141e-10 2.29351461639993e-10 2.27491527532447e-10 2.28739532014293e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.8662182947857121 -4.2354226920085525 -3.1280548217097297 -1.8851369076110538 -2.1302516611135434 -1.116760679531616 -4.0689322910340975 -2.9552418348282563 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.8662182947857121 -4.235422692008552 -3.12805482170973 -1.885136907611054 -2.130251661113543 -1.116760679531616 -4.068932291034097 -2.955241834828256 ] } "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 ] } }