{ "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" 2.8296494334936138 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.829649433493614e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.44693541563545 2.2504308324268 2.22336641790684 2.21283958772645 2.23143796611018 2.21979084521279 2.26594273748462 2.21173322838713 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44693541563545e-10 2.2504308324268e-10 2.22336641790684e-10 2.21283958772645e-10 2.23143796611018e-10 2.21979084521279e-10 2.26594273748462e-10 2.21173322838713e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01690451981317425 1.4392496263063594 1.4679257814023778 1.4094345760251468 1.3985699186234495 1.2920256386398916 1.1087020510330114 0.40517184949288276 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01690451981317425 1.439249626306359 1.467925781402378 1.409434576025147 1.398569918623449 1.292025638639892 1.108702051033011 0.4051718494928828 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }