{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.710179 0.126662 ] [ 0.5 0.289821 0.873338 ] [ 0 0.789821 0.626662 ] [ 0 0.210179 0.373338 ] ] } "species" { "source-value" [ "Cu" "Cu" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.86301727 "source-unit" "angstrom" } "b" { "source-value" 4.7041617 "source-unit" "angstrom" } "c" { "source-value" 6.06668999 "source-unit" "angstrom" } }