{ "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" 4.03330184519291 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.03330184519291e-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" [ 2.81754667853423 2.53870934408254 2.51814267833859 2.56452719397664 2.58438017221733 2.60552931451071 2.6242663712113 2.59300653816091 2.58979177753957 2.56325155379796 2.56828086233183 2.60995840076248 2.56470854318253 2.56716807890874 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.81754667853423e-10 2.53870934408254e-10 2.51814267833859e-10 2.56452719397664e-10 2.58438017221733e-10 2.60552931451071e-10 2.6242663712113e-10 2.59300653816091e-10 2.58979177753957e-10 2.56325155379796e-10 2.56828086233183e-10 2.60995840076248e-10 2.56470854318253e-10 2.56716807890874e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.011812105042095487 0.4275923623040811 0.49164198514012236 0.49608076504283627 0.4832799690895098 0.4605935675755984 0.2610896784611988 0.4254847837169563 0.4981360747893194 0.5679107532890892 0.5572502937076641 0.5547104657182212 0.5482281611533809 0.5252404417176304 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01181210504209549 0.4275923623040811 0.4916419851401224 0.4960807650428363 0.4832799690895098 0.4605935675755984 0.2610896784611988 0.4254847837169563 0.4981360747893194 0.5679107532890892 0.5572502937076641 0.5547104657182212 0.5482281611533809 0.5252404417176304 ] } "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" [ "Al" "Al" "Al" "Al" ] } "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 ] } }