{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.694018 0.506455 ] [ 0.25 0.805982 0.006455 ] [ 0.75 0.305982 0.493545 ] [ 0.75 0.194018 0.993545 ] [ 0.75 0.920178 0.283744 ] [ 0.25 0.079822 0.716256 ] [ 0.25 0.420178 0.216256 ] [ 0.75 0.579822 0.783744 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.48083036 "source-unit" "angstrom" } "b" { "source-value" 6.25647442 "source-unit" "angstrom" } "c" { "source-value" 6.48765472 "source-unit" "angstrom" } }