{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.244205 0.75 ] [ 0.5 0.755795 0.25 ] [ 0 0.744205 0.75 ] [ 0 0.255795 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.959864 0.75 ] [ 0.5 0.040136 0.25 ] [ 0 0.459864 0.75 ] [ 0 0.540136 0.25 ] [ 0.5 0.876492 0.932992 ] [ 0.5 0.123508 0.067008 ] [ 0.5 0.123508 0.432992 ] [ 0.5 0.876492 0.567008 ] [ 0 0.056484 0.75 ] [ 0 0.943516 0.25 ] [ 0 0.376492 0.932992 ] [ 0 0.623508 0.067008 ] [ 0 0.623508 0.432992 ] [ 0 0.376492 0.567008 ] [ 0.5 0.556484 0.75 ] [ 0.5 0.443516 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "La" "La" "La" "La" "Zn" "Zn" "Zn" "Zn" "Te" "Te" "Te" "Te" "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" 4.59166117 "source-unit" "angstrom" } "b" { "source-value" 17.20368432 "source-unit" "angstrom" } "c" { "source-value" 12.27950233 "source-unit" "angstrom" } }