{ "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 ] [ 0.051711 0.640196 0.388472 ] [ 0.448289 0.859804 0.388472 ] [ 0.640196 0.051711 0.111528 ] [ 0.640196 0.448289 0.388472 ] [ 0.859804 0.051711 0.388472 ] [ 0.448289 0.640196 0.111528 ] [ 0.051711 0.859804 0.111528 ] [ 0.859804 0.448289 0.111528 ] [ 0.140196 0.551711 0.888472 ] [ 0.948289 0.140196 0.888472 ] [ 0.551711 0.359804 0.888472 ] [ 0.140196 0.948289 0.611528 ] [ 0.359804 0.551711 0.611528 ] [ 0.359804 0.948289 0.888472 ] [ 0.551711 0.140196 0.611528 ] [ 0.948289 0.359804 0.611528 ] ] } "species" { "source-value" [ "Sm" "Sm" "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" 6.37213612 "source-unit" "angstrom" } "c" { "source-value" 9.63692178 "source-unit" "angstrom" } }