{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nnc" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.75 0 ] [ 0.055275 0.638162 0.389741 ] [ 0.444725 0.861838 0.389741 ] [ 0.638162 0.055275 0.110259 ] [ 0.638162 0.444725 0.389741 ] [ 0.861838 0.055275 0.389741 ] [ 0.444725 0.638162 0.110259 ] [ 0.055275 0.861838 0.110259 ] [ 0.861838 0.444725 0.110259 ] [ 0.138162 0.555275 0.889741 ] [ 0.944725 0.138162 0.889741 ] [ 0.555275 0.361838 0.889741 ] [ 0.138162 0.944725 0.610259 ] [ 0.361838 0.555275 0.610259 ] [ 0.361838 0.944725 0.889741 ] [ 0.555275 0.138162 0.610259 ] [ 0.944725 0.361838 0.610259 ] ] } "species" { "source-value" [ "Pr" "Pr" "Tl" "Tl" "Mo" "Mo" "Mo" "Mo" "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" 6.42826706 "source-unit" "angstrom" } "c" { "source-value" 9.75781183 "source-unit" "angstrom" } }