{ "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" 3.430137217044831 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.430137217044831e-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" [ 2.40587423493103 2.23288514522995 2.215326789387 2.22187997709891 2.25134081628095 2.21212518088309 2.18831753285629 2.23154566491683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.40587423493103e-10 2.23288514522995e-10 2.215326789387e-10 2.22187997709891e-10 2.25134081628095e-10 2.21212518088309e-10 2.18831753285629e-10 2.23154566491683e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020939385163081584 0.5665272678473343 0.5585933625271149 0.5841391486066702 0.4687611597298573 0.5201606557734189 0.5761052894643242 0.6374179661125744 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02093938516308158 0.5665272678473343 0.5585933625271149 0.5841391486066702 0.4687611597298573 0.5201606557734189 0.5761052894643242 0.6374179661125744 ] } "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 ] } }