{ "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" 3.082927376031875 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.082927376031875e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.50979553776805 2.48842486558788 2.43470508602257 2.45865864581032 2.50342368663382 2.48994404747837 2.49816895917932 2.44041592356815 2.52763172169826 2.488694792307 2.44704676036092 2.4307820708426 2.52564472891639 2.5252749928868 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.50979553776805e-10 2.48842486558788e-10 2.43470508602257e-10 2.45865864581032e-10 2.50342368663382e-10 2.48994404747837e-10 2.49816895917932e-10 2.44041592356815e-10 2.52763172169826e-10 2.488694792307e-10 2.44704676036092e-10 2.4307820708426e-10 2.52564472891639e-10 2.5252749928868e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.7217677248622678 -0.022452608886505094 0.45970382724544917 0.40494488356692704 0.2414692936060953 -0.09560725608915585 0.5915352419907681 0.4013162298810328 0.05894970140505882 0.009074029535118726 0.5969095534601927 0.16138718174860167 0.1276656906203838 -0.12576306732067388 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.7217677248622678 -0.02245260888650509 0.4597038272454492 0.404944883566927 0.2414692936060953 -0.09560725608915585 0.5915352419907681 0.4013162298810328 0.05894970140505882 0.009074029535118726 0.5969095534601927 0.1613871817486017 0.1276656906203838 -0.1257630673206739 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "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 ] } }