{ "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" 3.615000084042549 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.615000084042549e-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" [ 2.53491759261671 2.22657580826519 2.29535377458537 2.27009747145506 2.33168730361741 2.26898099764806 2.27227315566483 2.37229535370918 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53491759261671e-10 2.22657580826519e-10 2.29535377458537e-10 2.27009747145506e-10 2.33168730361741e-10 2.26898099764806e-10 2.27227315566483e-10 2.37229535370918e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01666595417709832 1.0611570546937257 1.0658443168183118 1.1139730311537024 1.0670273701053055 1.0596026832634196 1.0766941552911848 0.9255105041740496 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01666595417709832 1.061157054693726 1.065844316818312 1.113973031153702 1.067027370105305 1.05960268326342 1.076694155291185 0.9255105041740496 ] } "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 ] } }