{ "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" 2.863645762205124 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863645762205124e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.3349699520146 2.26272350217754 2.2193545491528 2.24307717191257 2.27662479660415 2.3150034629808 2.228580592513 2.26270105165699 2.28464430223908 2.25795240760842 2.22464429665596 2.27970367565119 2.29472743747866 2.28533723431139 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.3349699520146e-10 2.26272350217754e-10 2.2193545491528e-10 2.24307717191257e-10 2.27662479660415e-10 2.3150034629808e-10 2.228580592513e-10 2.26270105165699e-10 2.28464430223908e-10 2.25795240760842e-10 2.22464429665596e-10 2.27970367565119e-10 2.29472743747866e-10 2.28533723431139e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014950823420858992 1.1954008714688433 1.1848377420055372 1.0655027580079768 1.1845477317443969 1.0939760986636684 1.1227046066918538 1.1271612299729603 1.0883743746368397 1.2962830874420848 1.295564166079782 1.1162641988664515 1.2341581060769522 1.1482057159242403 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01495082342085899 1.195400871468843 1.184837742005537 1.065502758007977 1.184547731744397 1.093976098663668 1.122704606691854 1.12716122997296 1.08837437463684 1.296283087442085 1.295564166079782 1.116264198866451 1.234158106076952 1.14820571592424 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 23.07391806563098 34.04773236999154 38.572650822227786 44.41530859719298 52.20027756457278 62.96430821058772 69.97282751604145 78.46304096718453 88.83061719438597 91.16938280561406 101.5369590328155 110.02717248395858 117.03569178941231 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4027158415806617 0.5942450326942046 0.6732197580699728 0.7751933733103614 0.9110667139567219 1.098934489515255 1.221256227085009 1.369438406004566 1.550386746620723 1.591205906969071 1.772154247585227 1.920336426504785 2.042658164074539 ] } "tilt-axis" { "source-value" [ 1 1 2 ] } }