{ "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" 3.567322969436645 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.567322969436645e-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" [ 2.45375919489469 2.23058373549997 2.19699631919571 2.3006728249868 2.26030723362758 2.29495224953139 2.37310229848869 2.28807923371036 2.28826296590241 2.2878507678126 2.26589551084388 2.32531929395738 2.25268350026474 2.25400655039506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.45375919489469e-10 2.23058373549997e-10 2.19699631919571e-10 2.3006728249868e-10 2.26030723362758e-10 2.29495224953139e-10 2.37310229848869e-10 2.28807923371036e-10 2.28826296590241e-10 2.2878507678126e-10 2.26589551084388e-10 2.32531929395738e-10 2.25268350026474e-10 2.25400655039506e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.07139009996980063 0.16169505540799048 0.5037756523721146 0.46543963507569486 0.6699252466214259 0.419319139297993 0.1381155795731379 0.32268647502146086 0.6384081422997744 0.8377678644452821 0.737566832939469 0.9980129258574876 0.855126528898784 0.7824789166383943 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.07139009996980063 0.1616950554079905 0.5037756523721146 0.4654396350756949 0.6699252466214259 0.419319139297993 0.1381155795731379 0.3226864750214609 0.6384081422997744 0.8377678644452821 0.737566832939469 0.9980129258574876 0.855126528898784 0.7824789166383943 ] } "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 ] } }