{ "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" 3.611098572611809 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.61109857261181e-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" [ 2.52963429825233 2.26874585621534 2.29658830228729 2.31238216533487 2.27695637604853 2.28635946365385 2.22764778422805 2.42062650541098 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52963429825233e-10 2.26874585621534e-10 2.29658830228729e-10 2.31238216533487e-10 2.27695637604853e-10 2.28635946365385e-10 2.22764778422805e-10 2.42062650541098e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.020127269509713122 0.4805458019407664 0.7156207140029448 0.7634878321665014 0.7256197908972317 0.44405500066541287 -0.9067061285174385 -0.035359654970517414 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02012726950971312 0.4805458019407664 0.7156207140029448 0.7634878321665014 0.7256197908972317 0.4440550006654129 -0.9067061285174385 -0.03535965497051741 ] } "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 ] } }