{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75832 ] [ 0.5 0 0.25832 ] [ 0 0.5 0.25832 ] [ 0.5 0 0.75832 ] [ 0 0 0.50543 ] [ 0.5 0.5 0.00543 ] [ 0 0 0.022577 ] [ 0.5 0.5 0.522577 ] [ 0 0 0.227616 ] [ 0.21239 0.78761 0.980779 ] [ 0.71239 0.71239 0.480779 ] [ 0.5 0.5 0.727616 ] [ 0.28761 0.28761 0.480779 ] [ 0.78761 0.21239 0.980779 ] [ 0.736168 0.263832 0.503225 ] [ 0 0 0.765632 ] [ 0.763832 0.763832 0.003225 ] [ 0.5 0.5 0.265632 ] [ 0.236168 0.236168 0.003225 ] [ 0.263832 0.736168 0.503225 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.02599568 "source-unit" "angstrom" } "c" { "source-value" 8.6730975 "source-unit" "angstrom" } }