{ "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" 3.6582963466644287 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658296346664429e-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" [ 2.34497776547287 2.17598172711122 2.1793783946014 2.17453288611469 2.28889233402054 2.20914139671745 2.27668778281498 2.24321609636668 2.30315901722276 2.20203097926593 2.26484048911181 2.28729079654381 2.1264695379158 2.24043318531934 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.34497776547287e-10 2.17598172711122e-10 2.1793783946014e-10 2.17453288611469e-10 2.28889233402054e-10 2.20914139671745e-10 2.27668778281498e-10 2.24321609636668e-10 2.30315901722276e-10 2.20203097926593e-10 2.26484048911181e-10 2.28729079654381e-10 2.1264695379158e-10 2.24043318531934e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.001214606492203 -7.303557120609534 -5.054545608087859 -3.8208441437052825 -3.996378790336467 -6.08957874554368 -6.812738417767204 -3.939321575805612 0.03893130813542644 -8.0028385146344 -3.3551957030388873 0.2733578576866971 -4.255660862042578 -3.5409368031293544 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.001214606492203 -7.303557120609534 -5.054545608087859 -3.820844143705282 -3.996378790336467 -6.08957874554368 -6.812738417767204 -3.939321575805612 0.03893130813542644 -8.0028385146344 -3.355195703038887 0.2733578576866971 -4.255660862042578 -3.540936803129354 ] } "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 ] } }