{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.668521 ] [ 0 0.25 0.831479 ] [ 0.5 0.25 0.331479 ] [ 0 0.75 0.168521 ] [ 0.5 0.75 0.934936 ] [ 0 0.25 0.565064 ] [ 0.5 0.25 0.065064 ] [ 0 0.75 0.434936 ] [ 0.732999 0.422742 0.942339 ] [ 0.232999 0.577258 0.557661 ] [ 0.767001 0.922742 0.557661 ] [ 0.267001 0.077258 0.942339 ] [ 0.267001 0.577258 0.057661 ] [ 0.767001 0.422742 0.442339 ] [ 0.232999 0.077258 0.442339 ] [ 0.732999 0.922742 0.057661 ] [ 0.77434 0.919367 0.312719 ] [ 0.27434 0.080633 0.187281 ] [ 0.72566 0.419367 0.187281 ] [ 0.22566 0.580633 0.312719 ] [ 0.22566 0.080633 0.687281 ] [ 0.72566 0.919367 0.812719 ] [ 0.27434 0.580633 0.812719 ] [ 0.77434 0.419367 0.687281 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Al" "Al" "Al" "Al" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51341186 "source-unit" "angstrom" } "b" { "source-value" 4.80667271 "source-unit" "angstrom" } "c" { "source-value" 11.39524475 "source-unit" "angstrom" } }