{ "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" 3.521391749382019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521391749382019e-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" [ 2.46857978551667 2.22629440413657 2.25114446266644 2.21274117667859 2.22956843430385 2.22046088937114 2.17625160660298 2.21648906419028 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46857978551667e-10 2.22629440413657e-10 2.25114446266644e-10 2.21274117667859e-10 2.22956843430385e-10 2.22046088937114e-10 2.17625160660298e-10 2.21648906419028e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.022155128473968652 1.6355821925136451 1.6603230790087236 1.6582698334893262 1.568891043854743 1.5836903023382118 1.6349608604781012 1.6585061379196608 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02215512847396865 1.635582192513645 1.660323079008724 1.658269833489326 1.568891043854743 1.583690302338212 1.634960860478101 1.658506137919661 ] } "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 ] } }