{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.112219 0.276403 ] [ 0.25 0.135877 0.94323 ] [ 0.75 0.364123 0.44323 ] [ 0.75 0.387781 0.776403 ] [ 0.25 0.612219 0.223597 ] [ 0.25 0.635877 0.55677 ] [ 0.75 0.864123 0.05677 ] [ 0.75 0.887781 0.723597 ] [ 0.25 0.177999 0.620745 ] [ 0.75 0.322001 0.120745 ] [ 0.25 0.677999 0.879255 ] [ 0.75 0.822001 0.379255 ] [ 0.75 0.006867 0.895759 ] [ 0.25 0.011479 0.659005 ] [ 0.25 0.225747 0.456726 ] [ 0.75 0.240003 0.617139 ] [ 0.75 0.237298 0.271828 ] [ 0.25 0.262702 0.771828 ] [ 0.25 0.259997 0.117139 ] [ 0.75 0.274253 0.956726 ] [ 0.75 0.488521 0.159005 ] [ 0.25 0.493133 0.395759 ] [ 0.75 0.506867 0.604241 ] [ 0.25 0.511479 0.840995 ] [ 0.25 0.725747 0.043274 ] [ 0.75 0.740003 0.882861 ] [ 0.75 0.737298 0.228172 ] [ 0.25 0.762702 0.728172 ] [ 0.25 0.759997 0.382861 ] [ 0.75 0.774253 0.543274 ] [ 0.75 0.988521 0.340995 ] [ 0.25 0.993133 0.104241 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "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" 3.71577076 "source-unit" "angstrom" } "b" { "source-value" 10.44513292 "source-unit" "angstrom" } "c" { "source-value" 11.24137329 "source-unit" "angstrom" } }