{ "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" 3.646125234663486 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.646125234663486e-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" [ 2.55213113212664 2.28477141615417 2.29441165084232 2.28859760045597 2.32810501737049 2.30421185804674 2.29492382783633 2.41653089078323 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.55213113212664e-10 2.28477141615417e-10 2.29441165084232e-10 2.28859760045597e-10 2.32810501737049e-10 2.30421185804674e-10 2.29492382783633e-10 2.41653089078323e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018140691310968203 1.6729526404014219 1.6908551423731837 1.7404892944970514 1.6403335913708221 1.5333685216771993 1.5815006745711626 1.4663676663763239 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0181406913109682 1.672952640401422 1.690855142373184 1.740489294497051 1.640333591370822 1.533368521677199 1.581500674571163 1.466367666376324 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }