{ "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" 3.5199994325637833 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519999432563783e-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" [ 2.46881979481547 2.23013313458073 2.24947232329649 2.27301038735812 2.29165756039826 2.27650887124389 2.27776595125086 2.34963782723287 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46881979481547e-10 2.23013313458073e-10 2.24947232329649e-10 2.27301038735812e-10 2.29165756039826e-10 2.27650887124389e-10 2.27776595125086e-10 2.34963782723287e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022231731655918303 1.5793051909727744 1.6061730874748088 1.630927866991007 1.5824873630641898 1.5672361026986072 1.5694469251686647 1.3162178102422752 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0222317316559183 1.579305190972774 1.606173087474809 1.630927866991007 1.58248736306419 1.567236102698607 1.569446925168665 1.316217810242275 ] } "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 ] } }