{ "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" 3.653344042599202 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.653344042599202e-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" [ 2.56562568267485 2.28365967230812 2.31607974790552 2.29490550059181 2.32332685913428 2.36108879025318 2.31839486933553 2.43504229695409 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56562568267485e-10 2.28365967230812e-10 2.31607974790552e-10 2.29490550059181e-10 2.32332685913428e-10 2.36108879025318e-10 2.31839486933553e-10 2.43504229695409e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015209749408806556 1.363547539570201 1.3930376139036915 1.3691108041871465 1.320290951234696 1.2774473624305487 1.2563621907351785 1.0774204795331037 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01520974940880656 1.363547539570201 1.393037613903692 1.369110804187146 1.320290951234696 1.277447362430549 1.256362190735179 1.077420479533104 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }