{ "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" 3.678452149033547 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.678452149033547e-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" [ 2.51860984618258 2.18311196866625 2.27172444446403 2.24881400996062 2.27976594526555 2.30122991888452 2.27994867594178 2.32342506751684 2.26423610273744 2.30832550389601 2.28665041297718 2.33300288856297 2.33828228900274 2.31525230680574 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.51860984618258e-10 2.18311196866625e-10 2.27172444446403e-10 2.24881400996062e-10 2.27976594526555e-10 2.30122991888452e-10 2.27994867594178e-10 2.32342506751684e-10 2.26423610273744e-10 2.30832550389601e-10 2.28665041297718e-10 2.33300288856297e-10 2.33828228900274e-10 2.31525230680574e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01780590651215495 -0.20134958763522562 0.7263151877772007 0.7732722120522268 -0.46263876495323814 0.721662946300093 0.39531069419385856 0.6674685171550404 0.8992353778547324 1.0222032051181313 1.0618428689893267 1.1572084747451503 1.1390154125036975 1.015308762038761 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01780590651215495 -0.2013495876352256 0.7263151877772007 0.7732722120522268 -0.4626387649532381 0.721662946300093 0.3953106941938586 0.6674685171550404 0.8992353778547324 1.022203205118131 1.061842868989327 1.15720847474515 1.139015412503698 1.015308762038761 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 23.07391806563098 34.04773236999154 38.572650822227786 44.41530859719298 52.20027756457278 62.96430821058772 69.97282751604145 78.46304096718453 88.83061719438597 91.16938280561406 101.5369590328155 110.02717248395858 117.03569178941231 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4027158415806617 0.5942450326942046 0.6732197580699728 0.7751933733103614 0.9110667139567219 1.098934489515255 1.221256227085009 1.369438406004566 1.550386746620723 1.591205906969071 1.772154247585227 1.920336426504785 2.042658164074539 ] } "tilt-axis" { "source-value" [ 1 1 2 ] } }