{ "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" 3.65840482711792 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.65840482711792e-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" [ 2.4246042527739 2.19664582052796 2.19508384186856 2.19630848056289 2.23521087721698 2.21107554616611 2.19398134896127 2.3206009005795 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4246042527739e-10 2.19664582052796e-10 2.19508384186856e-10 2.19630848056289e-10 2.23521087721698e-10 2.21107554616611e-10 2.19398134896127e-10 2.3206009005795e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.465084932723618 -5.589909918105283 -4.485277310557578 -2.119670098822775 -3.3738045513073045 -2.1456785764303326 -6.414217465812929 -3.0596758393980505 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.465084932723618 -5.589909918105283 -4.485277310557578 -2.119670098822775 -3.373804551307305 -2.145678576430333 -6.414217465812929 -3.059675839398051 ] } "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 ] } }