{ "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" 3.607352703809738 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.607352703809738e-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" [ 2.51113771641115 2.19642773254697 2.2804469235438 2.23574338897191 2.29786043414164 2.31512704485249 2.39844848935201 2.28647037376123 2.30710860660086 2.27470504965876 2.24732065525329 2.29380144654144 2.24358401657198 2.29595814990253 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.51113771641115e-10 2.19642773254697e-10 2.2804469235438e-10 2.23574338897191e-10 2.29786043414164e-10 2.31512704485249e-10 2.39844848935201e-10 2.28647037376123e-10 2.30710860660086e-10 2.27470504965876e-10 2.24732065525329e-10 2.29380144654144e-10 2.24358401657198e-10 2.29595814990253e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015490345392492453 0.9411415163337645 1.1888284695019562 1.2635478799033342 1.3068996704642983 1.1024304182966649 0.5361612075358466 1.0934969370318177 1.5130305880787909 1.703237609169961 1.6925629033768583 1.690584482405379 1.6223522072571446 1.4567082733673815 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01549034539249245 0.9411415163337645 1.188828469501956 1.263547879903334 1.306899670464298 1.102430418296665 0.5361612075358466 1.093496937031818 1.513030588078791 1.703237609169961 1.692562903376858 1.690584482405379 1.622352207257145 1.456708273367382 ] } "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 ] } }