{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.879801 0.879801 0 ] [ 0.379801 0.620199 0.5 ] [ 0.620199 0.379801 0.5 ] [ 0.120199 0.120199 0 ] [ 0.902316 0.097684 0 ] [ 0.597684 0.597684 0.5 ] [ 0.402316 0.402316 0.5 ] [ 0.097684 0.902316 0 ] [ 0.099515 0.313761 0 ] [ 0.813761 0.400485 0.5 ] [ 0.186239 0.599515 0.5 ] [ 0.900485 0.686239 0 ] [ 0.400485 0.813761 0.5 ] [ 0.599515 0.186239 0.5 ] [ 0.313761 0.099515 0 ] [ 0.686239 0.900485 0 ] [ 0.391301 0.608699 0 ] [ 0.108699 0.108699 0.5 ] [ 0.891301 0.891301 0.5 ] [ 0.608699 0.391301 0 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 11.80775024 "source-unit" "angstrom" } "c" { "source-value" 3.87029144 "source-unit" "angstrom" } }