{ "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" 3.6583647802472123 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364780247213e-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" [ 2.34865915511083 2.34510012014682 2.22898331225188 2.26475056184868 2.28141746407062 2.3176536529263 2.25477315716835 2.2319778389208 2.30140522127558 2.21814272906916 2.20669728713842 2.32922469775931 2.23725138031507 2.26068211573351 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.34865915511083e-10 2.34510012014682e-10 2.22898331225188e-10 2.26475056184868e-10 2.28141746407062e-10 2.3176536529263e-10 2.25477315716835e-10 2.2319778389208e-10 2.30140522127558e-10 2.21814272906916e-10 2.20669728713842e-10 2.32922469775931e-10 2.23725138031507e-10 2.26068211573351e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.8480757227708815 -5.0810245639385325 -3.9391369454574527 -2.8167018516050004 -3.8570600260172005 -4.158632937970946 -4.808349860307118 -1.81272768697085 -1.2883786769060357 -5.4811342052224825 -1.0373562152078755 0.6369980994793315 -2.4356374331081834 -1.9572853355045199 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.848075722770882 -5.081024563938533 -3.939136945457453 -2.816701851605 -3.857060026017201 -4.158632937970946 -4.808349860307118 -1.81272768697085 -1.288378676906036 -5.481134205222483 -1.037356215207875 0.6369980994793315 -2.435637433108183 -1.95728533550452 ] } "short-name" { "source-value" [ "fcc" ] } "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 ] } }