{ "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" 3.1599882096052174 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.159988209605218e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.73067322755474 2.48882570638465 2.52224530260658 2.44760574268532 2.49652326967974 2.53715336034315 2.52403506875255 2.38060334991937 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.73067322755474e-10 2.48882570638465e-10 2.52224530260658e-10 2.44760574268532e-10 2.49652326967974e-10 2.53715336034315e-10 2.52403506875255e-10 2.38060334991937e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015907944231366412 2.1179666605460583 2.119953591950569 2.0326291495812794 2.1088942656455725 2.030492752984219 1.7844244271124574 0.8282369194393341 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01590794423136641 2.117966660546058 2.119953591950569 2.032629149581279 2.108894265645572 2.030492752984219 1.784424427112457 0.8282369194393341 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "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 ] } }