{ "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" 3.5213917419314393 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52139174193144e-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" [ 2.46782232795125 2.20538410598405 2.21803416567347 2.18757460957386 2.28004930474995 2.19561511786436 2.15916638303606 2.19162684254814 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46782232795125e-10 2.20538410598405e-10 2.21803416567347e-10 2.18757460957386e-10 2.28004930474995e-10 2.19561511786436e-10 2.15916638303606e-10 2.19162684254814e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022155128573417466 1.5229337636225788 1.5059944890090415 1.5481881599639076 1.4568345561378107 1.4864155768544705 1.6119609608943373 1.5449578007215938 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02215512857341747 1.522933763622579 1.505994489009042 1.548188159963908 1.456834556137811 1.48641557685447 1.611960960894337 1.544957800721594 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }