{ "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" 3.611098572611809 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.61109857261181e-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" [ 2.52963429825233 2.2687458562153 2.29658830228728 2.31238216533661 2.27695637604853 2.28635946365455 2.2276477846423 2.42063394969863 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52963429825233e-10 2.2687458562153e-10 2.29658830228728e-10 2.31238216533661e-10 2.27695637604853e-10 2.28635946365455e-10 2.2276477846423e-10 2.42063394969863e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020129373369262755 0.480549213984993 0.7156237190570511 0.7634895601176024 0.7256219842802255 0.44405681264579866 -0.9068596346391553 -0.03535860978202168 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02012937336926275 0.480549213984993 0.7156237190570511 0.7634895601176024 0.7256219842802255 0.4440568126457987 -0.9068596346391553 -0.03535860978202168 ] } "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 ] } }