{ "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" 3.700475549697878 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.700475549697878e-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" [ 2.42315424998364 2.20751352980344 2.20033675007904 2.21013875330512 2.21963257804639 2.18236481009118 2.20574405162201 2.31069090782163 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42315424998364e-10 2.20751352980344e-10 2.20033675007904e-10 2.21013875330512e-10 2.21963257804639e-10 2.18236481009118e-10 2.20574405162201e-10 2.31069090782163e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.0658449937737697 -3.166441127704429 -3.4052413320608 -1.6776037176045953 -2.4475721029660313 -1.8381374492425488 -4.719401225938238 -1.632710139793809 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.06584499377377 -3.166441127704429 -3.4052413320608 -1.677603717604595 -2.447572102966031 -1.838137449242549 -4.719401225938238 -1.632710139793809 ] } "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 ] } }