{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.436332 ] [ 0 0.25 0.563668 ] [ 0.5 0.25 0.063668 ] [ 0.5 0.75 0.936332 ] [ 0 0.75 0.166676 ] [ 0 0.25 0.833324 ] [ 0.5 0.75 0.666676 ] [ 0.5 0.25 0.333324 ] [ 0.776664 0.910733 0.313135 ] [ 0.776664 0.410733 0.686865 ] [ 0.772304 0.429115 0.448562 ] [ 0.772304 0.929115 0.551438 ] [ 0.727696 0.929115 0.051438 ] [ 0.727696 0.429115 0.948562 ] [ 0.723336 0.410733 0.186865 ] [ 0.723336 0.910733 0.813135 ] [ 0.276664 0.089267 0.186865 ] [ 0.276664 0.589267 0.813135 ] [ 0.272304 0.570885 0.051438 ] [ 0.272304 0.070885 0.948562 ] [ 0.227696 0.070885 0.448562 ] [ 0.227696 0.570885 0.551438 ] [ 0.223336 0.589267 0.313135 ] [ 0.223336 0.089267 0.686865 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Te" "Te" "Te" "Te" "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" 4.57751617 "source-unit" "angstrom" } "b" { "source-value" 4.93029085 "source-unit" "angstrom" } "c" { "source-value" 11.5758674 "source-unit" "angstrom" } }