{ "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" [ 2.52751901277292 2.23780943168188 2.29241644247278 2.30565438497016 2.22906779533124 2.3113035501133 2.27882201697125 2.41632360718164 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52751901277292e-10 2.23780943168188e-10 2.29241644247278e-10 2.30565438497016e-10 2.22906779533124e-10 2.3113035501133e-10 2.27882201697125e-10 2.41632360718164e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020083762988628302 0.7567235540177832 0.7328540912794678 0.2599960543518361 0.6690946126917604 0.2875834593891298 -1.0758497597888474 0.4416006583861849 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0200837629886283 0.7567235540177832 0.7328540912794678 0.2599960543518361 0.6690946126917604 0.2875834593891298 -1.075849759788847 0.4416006583861849 ] } "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 ] } }