{ "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" [ 2.52452981265509 2.26195914254695 2.26895302471975 2.26199752472932 2.31040028058651 2.28564231941098 2.24579249927474 2.39263111876873 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52452981265509e-10 2.26195914254695e-10 2.26895302471975e-10 2.26199752472932e-10 2.31040028058651e-10 2.28564231941098e-10 2.24579249927474e-10 2.39263111876873e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019955776600870962 1.8287126379282272 1.8238168680113436 1.8792752200103826 1.7651954089202533 1.6576506728020883 1.7049204395019166 1.5628674394078554 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01995577660087096 1.828712637928227 1.823816868011344 1.879275220010383 1.765195408920253 1.657650672802088 1.704920439501917 1.562867439407855 ] } "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 ] } }