{ "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" 4.176897808909416 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.176897808909416e-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" [ 2.92437313837363 2.55697789978523 2.62716026391533 2.59412295507854 2.5301241645683 2.59950069203761 2.61460688381461 2.77798199550938 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.92437313837363e-10 2.55697789978523e-10 2.62716026391533e-10 2.59412295507854e-10 2.5301241645683e-10 2.59950069203761e-10 2.61460688381461e-10 2.77798199550938e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02612689134308849 1.0106440421793585 0.9365411827114029 1.0521629832280066 0.9013150875175088 0.35540634378930647 -1.7081613847578936 0.6670290646951522 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02612689134308849 1.010644042179359 0.9365411827114029 1.052162983228007 0.9013150875175088 0.3554063437893065 -1.708161384757894 0.6670290646951522 ] } "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 ] } }