{ "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" 3.611098542809487 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.611098542809487e-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" [ 2.52916092127985 2.27667997610059 2.3216682566986 2.31780195046457 2.27673789876675 2.30452504461207 2.21500296158646 2.42101646078294 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52916092127985e-10 2.27667997610059e-10 2.3216682566986e-10 2.31780195046457e-10 2.27673789876675e-10 2.30452504461207e-10 2.21500296158646e-10 2.42101646078294e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020127269481390875 0.480306084482881 -0.3776613601487284 0.8116747226326743 0.723761110830996 0.7129630107718335 -0.8055224550412439 0.167689742495071 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02012726948139087 0.480306084482881 -0.3776613601487284 0.8116747226326743 0.723761110830996 0.7129630107718335 -0.8055224550412439 0.167689742495071 ] } "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 ] } }