{ "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" 3.589836478233337 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.589836478233337e-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" [ 2.5149129735934 2.2867231854157 2.27793772305175 2.30362698903879 2.30878609812286 2.29698913216219 2.26497443684537 2.38846025099501 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5149129735934e-10 2.2867231854157e-10 2.27793772305175e-10 2.30362698903879e-10 2.30878609812286e-10 2.29698913216219e-10 2.26497443684537e-10 2.38846025099501e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016847085228039235 0.9906233527091223 0.997805258167359 1.0064024661157833 0.9595459761996936 0.9548773647597522 0.9614554706711104 0.955843196835354 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01684708522803923 0.9906233527091223 0.997805258167359 1.006402466115783 0.9595459761996936 0.9548773647597522 0.9614554706711104 0.955843196835354 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }