{ "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" 3.52422046661377 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52422046661377e-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" [ 2.47357648894723 2.11257706858976 2.18526086871618 2.21560894663082 2.21747459235746 2.17855391740093 2.1691154880788 2.31435310217742 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47357648894723e-10 2.11257706858976e-10 2.18526086871618e-10 2.21560894663082e-10 2.21747459235746e-10 2.17855391740093e-10 2.1691154880788e-10 2.31435310217742e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02222903774153592 1.2669852488188966 1.2763930310728129 1.301113567172925 1.2219134159436686 1.2551234625828287 1.2498004086606493 1.0101233098233948 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02222903774153592 1.266985248818897 1.276393031072813 1.301113567172925 1.221913415943669 1.255123462582829 1.249800408660649 1.010123309823395 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }