{ "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" 3.606302589178085 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.606302589178085e-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" [ 2.5317801732777 2.26296511084582 2.29556072539973 2.27511766411165 2.30033933969245 2.33229053432567 2.28536981367657 2.40603822780396 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5317801732777e-10 2.26296511084582e-10 2.29556072539973e-10 2.27511766411165e-10 2.30033933969245e-10 2.33229053432567e-10 2.28536981367657e-10 2.40603822780396e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02004295347425217 1.843544061506199 1.8992259192632384 1.89661539014549 1.7881099382818342 1.7437541162616834 1.7547237308844565 1.4660377994560279 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02004295347425217 1.843544061506199 1.899225919263238 1.89661539014549 1.788109938281834 1.743754116261683 1.754723730884457 1.466037799456028 ] } "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 ] } }