{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.868488 0.75 ] [ 0.5 0.131512 0.25 ] [ 0 0.368488 0.75 ] [ 0 0.631512 0.25 ] [ 0 0.900346 0.75 ] [ 0 0.099654 0.25 ] [ 0.5 0.400346 0.75 ] [ 0.5 0.599654 0.25 ] [ 0.237668 0.968116 0.200169 ] [ 0.762332 0.968116 0.299831 ] [ 0.762332 0.031884 0.799831 ] [ 0.237668 0.031884 0.700169 ] [ 0.849644 0.794353 0.840935 ] [ 0.150356 0.794353 0.659065 ] [ 0.150356 0.205647 0.159065 ] [ 0.849644 0.205647 0.340935 ] [ 0.737668 0.468116 0.200169 ] [ 0.262332 0.468116 0.299831 ] [ 0.262332 0.531884 0.799831 ] [ 0.737668 0.531884 0.700169 ] [ 0.349644 0.294353 0.840935 ] [ 0.650356 0.294353 0.659065 ] [ 0.650356 0.705647 0.159065 ] [ 0.349644 0.705647 0.340935 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ta" "Ta" "Ta" "Ta" "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" 7.22401637645 "source-unit" "angstrom" } "b" { "source-value" 11.4074314963 "source-unit" "angstrom" } "c" { "source-value" 5.17513618736 "source-unit" "angstrom" } "beta" { "source-value" 130.131997153 "source-unit" "degree" } }