{ "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 0.25 0 ] [ 0.25 0.75 0 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.373729 ] [ 0.25 0.25 0.126271 ] [ 0.75 0.75 0.626271 ] [ 0.75 0.75 0.873729 ] [ 0.912656 0.080878 0.125461 ] [ 0.412656 0.580878 0.874539 ] [ 0.087344 0.919122 0.874539 ] [ 0.412656 0.919122 0.625461 ] [ 0.919122 0.412656 0.874539 ] [ 0.080878 0.587344 0.125461 ] [ 0.919122 0.087344 0.625461 ] [ 0.912656 0.419122 0.374539 ] [ 0.419122 0.587344 0.374539 ] [ 0.580878 0.087344 0.874539 ] [ 0.419122 0.912656 0.125461 ] [ 0.087344 0.580878 0.625461 ] [ 0.080878 0.912656 0.374539 ] [ 0.587344 0.419122 0.125461 ] [ 0.580878 0.412656 0.625461 ] [ 0.587344 0.080878 0.374539 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.94781365 "source-unit" "angstrom" } "c" { "source-value" 12.80106546 "source-unit" "angstrom" } }