{ "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" 3.8733648657798767 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.873364865779877e-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" [ 2.70331781008295 2.4316791783069 2.41534081162695 2.4258489357925 2.44522654156563 2.53578561485828 2.50909843730182 2.49861004496995 2.47404049744213 2.43893184961102 2.44419530794144 2.46254399209808 2.40869590602212 2.51630534220824 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.70331781008295e-10 2.4316791783069e-10 2.41534081162695e-10 2.4258489357925e-10 2.44522654156563e-10 2.53578561485828e-10 2.50909843730182e-10 2.49861004496995e-10 2.474040497442131e-10 2.43893184961102e-10 2.44419530794144e-10 2.46254399209808e-10 2.40869590602212e-10 2.51630534220824e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013511761284995214 0.7973042391805966 0.8505197747766471 0.9242909543214474 0.8957887666243639 0.8133529788179111 0.3320696838872722 0.7377806155854643 0.9419981446198279 1.062380932636836 1.0425378826286793 1.0279480520263513 1.0180125508028117 0.9682528272626559 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01351176128499521 0.7973042391805966 0.8505197747766471 0.9242909543214474 0.8957887666243639 0.8133529788179111 0.3320696838872722 0.7377806155854643 0.9419981446198279 1.062380932636836 1.042537882628679 1.027948052026351 1.018012550802812 0.9682528272626559 ] } "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" [ "Pd" "Pd" "Pd" "Pd" ] } "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 ] } }