{ "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" 3.6200000196695328 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.620000019669533e-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" [ 2.33773875135749 2.25306359854804 2.25159990616769 2.23609850147504 2.33490267877961 2.30893519880517 2.37861138807501 2.24360002083985 2.31243854227832 2.24520199663417 2.24828584271953 2.30784564205812 2.25525718200691 2.26438975141676 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.33773875135749e-10 2.25306359854804e-10 2.25159990616769e-10 2.23609850147504e-10 2.33490267877961e-10 2.30893519880517e-10 2.37861138807501e-10 2.24360002083985e-10 2.31243854227832e-10 2.24520199663417e-10 2.24828584271953e-10 2.30784564205812e-10 2.25525718200691e-10 2.26438975141676e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015441579426656308 0.7594825326875219 0.8117995070825564 0.8854412342359698 0.8633955729028095 0.7399122781642331 0.35635103611559965 0.6472523145869219 0.8198214491311889 0.928834913795203 0.9264030670976146 0.8690768522738452 0.9001847141391708 0.8875620278005363 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01544157942665631 0.7594825326875219 0.8117995070825564 0.8854412342359698 0.8633955729028095 0.7399122781642331 0.3563510361155997 0.6472523145869219 0.8198214491311889 0.928834913795203 0.9264030670976146 0.8690768522738452 0.9001847141391708 0.8875620278005363 ] } "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }