{ "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 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.857428 0.857428 0 ] [ 0.357428 0.642572 0.5 ] [ 0.642572 0.357428 0.5 ] [ 0.142572 0.142572 0 ] [ 0.699212 0.300788 0 ] [ 0.800788 0.800788 0.5 ] [ 0.199212 0.199212 0.5 ] [ 0.300788 0.699212 0 ] [ 0.627712 0.627712 0.802729 ] [ 0.372288 0.372288 0.802729 ] [ 0.872288 0.127712 0.302729 ] [ 0.127712 0.872288 0.302729 ] [ 0.627712 0.627712 0.197271 ] [ 0.127712 0.872288 0.697271 ] [ 0.872288 0.127712 0.697271 ] [ 0.372288 0.372288 0.197271 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.6789114 "source-unit" "angstrom" } "c" { "source-value" 7.70552261 "source-unit" "angstrom" } }