{ "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" 3.587871603667736 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.587871603667736e-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" [ 2.50098149152185 2.35665983214062 2.2791596417413 2.2852646119926 2.29551034717129 2.3249568638766 2.39195574591804 2.31709585802211 2.32618225652481 2.28687373278242 2.29023621537103 2.30353131957705 2.27632080975682 2.33287445980634 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.50098149152185e-10 2.35665983214062e-10 2.2791596417413e-10 2.2852646119926e-10 2.29551034717129e-10 2.3249568638766e-10 2.39195574591804e-10 2.31709585802211e-10 2.32618225652481e-10 2.28687373278242e-10 2.29023621537103e-10 2.30353131957705e-10 2.27632080975682e-10 2.33287445980634e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015599094670134404 0.6547255078329803 0.7777279256860654 0.840996121281435 0.8242190386872877 0.7412469549817249 0.3233854834351154 0.6813943564914 0.881242033032149 0.9953506306826224 0.982849741608549 0.9603852889336967 0.9478340354575099 0.8914610887924347 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0155990946701344 0.6547255078329803 0.7777279256860654 0.840996121281435 0.8242190386872877 0.7412469549817249 0.3233854834351154 0.6813943564914 0.881242033032149 0.9953506306826224 0.982849741608549 0.9603852889336967 0.9478340354575099 0.8914610887924347 ] } "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 ] } }