{ "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" 3.61105090379715 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.61105090379715e-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" [ 2.52769534139872 2.26690580264574 2.27576830016146 2.2749416947888 2.31238698682208 2.28748249731006 2.28367464454522 2.39323463363471 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52769534139872e-10 2.26690580264574e-10 2.27576830016146e-10 2.2749416947888e-10 2.31238698682208e-10 2.28748249731006e-10 2.28367464454522e-10 2.39323463363471e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.0196848284999511 1.8107450878614715 1.8103548991364478 1.8826045392710642 1.7532493067823858 1.6470435857015624 1.6888731107304311 1.5585091238897055 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0196848284999511 1.810745087861471 1.810354899136448 1.882604539271064 1.753249306782386 1.647043585701562 1.688873110730431 1.558509123889706 ] } "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 ] } }