{ "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" 4.176897808909416 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.176897808909416e-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" [ 2.9258693783211 2.58028224260842 2.63996749020146 2.65737633222679 2.60563660587068 2.61362354551651 2.52601504201883 2.78098812996169 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.9258693783211e-10 2.58028224260842e-10 2.63996749020146e-10 2.65737633222679e-10 2.60563660587068e-10 2.61362354551651e-10 2.52601504201883e-10 2.78098812996169e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02618254036587259 0.732084374751896 1.115318479116748 1.11830224785696 0.9713882182340885 1.0323040072618241 -1.4215369516487297 0.2537770383025306 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02618254036587259 0.732084374751896 1.115318479116748 1.11830224785696 0.9713882182340885 1.032304007261824 -1.42153695164873 0.2537770383025306 ] } "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 ] } }