{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mcc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.322999 0.85839 0 ] [ 0.14161 0.677001 0.5 ] [ 0.85839 0.322999 0.5 ] [ 0.322999 0.14161 0.5 ] [ 0.85839 0.677001 0 ] [ 0.677001 0.14161 0 ] [ 0.14161 0.322999 0 ] [ 0.677001 0.85839 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.61272845 "source-unit" "angstrom" } "c" { "source-value" 6.95631308 "source-unit" "angstrom" } }