{ "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" 3.9173715934157367 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.917371593415737e-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" [ 2.73481725977659 2.40350169176433 2.44071809407457 2.43583966155366 2.47152071661776 2.5019721593467 2.56085556909443 2.42986273460793 2.51349128139577 2.48635259724994 2.46265307715321 2.48910046595666 2.44377020414882 2.49267142862293 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.73481725977659e-10 2.40350169176433e-10 2.44071809407457e-10 2.43583966155366e-10 2.47152071661776e-10 2.5019721593467e-10 2.56085556909443e-10 2.42986273460793e-10 2.51349128139577e-10 2.48635259724994e-10 2.46265307715321e-10 2.48910046595666e-10 2.44377020414882e-10 2.49267142862293e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02144314960431783 1.3077955944800692 1.4875152165140582 1.4077950763556182 1.335051106556339 1.253517905024803 0.6199338834111531 1.1143840024250162 1.3571925284607698 1.5171817763966695 1.504508509324186 1.3462743658338674 1.4802710191547919 1.419111078921451 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02144314960431783 1.307795594480069 1.487515216514058 1.407795076355618 1.335051106556339 1.253517905024803 0.6199338834111531 1.114384002425016 1.35719252846077 1.51718177639667 1.504508509324186 1.346274365833867 1.480271019154792 1.419111078921451 ] } "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" [ "Pt" "Pt" "Pt" "Pt" ] } "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 ] } }