{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.36567 0.36567 0.36567 ] [ 0.13433 0.63433 0.86567 ] [ 0.86567 0.13433 0.63433 ] [ 0.63433 0.86567 0.13433 ] [ 0.63433 0.63433 0.63433 ] [ 0.86567 0.36567 0.13433 ] [ 0.13433 0.86567 0.36567 ] [ 0.36567 0.13433 0.86567 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "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" 6.69324884 "source-unit" "angstrom" } }