{ "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" 3.608429037034512 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.608429037034512e-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" [ 2.52794611223953 2.23478772922715 2.25725677788857 2.24618060050185 2.19126852011985 2.23511484464077 2.19965130276335 2.22875565812784 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.52794611223953e-10 2.23478772922715e-10 2.25725677788857e-10 2.24618060050185e-10 2.19126852011985e-10 2.23511484464077e-10 2.19965130276335e-10 2.22875565812784e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02017519060605054 0.8748505759225699 0.8015987849577003 0.8401970376521597 0.7194934970661413 0.7634860180477916 0.6887596842071421 0.36189139120615904 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02017519060605054 0.8748505759225699 0.8015987849577003 0.8401970376521597 0.7194934970661413 0.7634860180477916 0.6887596842071421 0.361891391206159 ] } "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 ] } }