{ "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" 3.608116634190083 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608116634190083e-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" [ 2.26432624445686 2.21989811359794 2.23318776884258 2.22818349462938 2.23236255147006 2.22566042307209 2.21415913594175 2.23205535120177 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.26432624445686e-10 2.21989811359794e-10 2.23318776884258e-10 2.22818349462938e-10 2.23236255147006e-10 2.22566042307209e-10 2.21415913594175e-10 2.23205535120177e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02005573272767511 1.0357564993793809 0.9667916648742936 1.0229822116109515 0.9090696757123267 0.9604684794795084 0.7495888756713716 0.7959710003677657 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02005573272767511 1.035756499379381 0.9667916648742936 1.022982211610951 0.9090696757123267 0.9604684794795084 0.7495888756713716 0.7959710003677657 ] } "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 ] } }