{ "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" 3.5181212425231942 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.518121242523195e-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" [ 2.46692499577121 2.16353337700996 2.171106071907 2.15715452176581 2.17465589010499 2.18134135390964 2.12408180039552 2.18149008374437 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46692499577121e-10 2.16353337700996e-10 2.171106071907e-10 2.15715452176581e-10 2.17465589010499e-10 2.18134135390964e-10 2.12408180039552e-10 2.18149008374437e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.021874660775614514 1.3836660519808661 1.402111608552075 1.4135752751233797 1.3807554520741405 1.3740900313311013 1.3817488109849536 1.3961774425560265 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02187466077561451 1.383666051980866 1.402111608552075 1.41357527512338 1.380755452074141 1.374090031331101 1.381748810984954 1.396177442556026 ] } "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 ] } }