{ "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" 3.6582963466644287 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658296346664429e-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" [ 2.42478051697965 2.1502422907719 2.14450110203485 2.21524932272875 2.17714714029974 2.21343017900242 2.25318238963021 2.33290953214467 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42478051697965e-10 2.1502422907719e-10 2.14450110203485e-10 2.21524932272875e-10 2.17714714029974e-10 2.21343017900242e-10 2.25318238963021e-10 2.33290953214467e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.3723565923912806 -4.228237997959351 -4.057621644608509 -1.8356118101385521 -3.0421645063320617 -2.575551671424638 -5.717347823570488 -3.2372544450831913 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.372356592391281 -4.228237997959351 -4.057621644608509 -1.835611810138552 -3.042164506332062 -2.575551671424638 -5.717347823570488 -3.237254445083191 ] } "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 ] } }