{ "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 0.248906 0.75 ] [ 0 0.751094 0.25 ] [ 0.5 0.748906 0.75 ] [ 0.5 0.251094 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.962392 0.25 ] [ 0.5 0.037608 0.75 ] [ 0 0.462392 0.25 ] [ 0 0.537608 0.75 ] [ 0.5 0.119231 0.544688 ] [ 0.5 0.880769 0.455312 ] [ 0.5 0.880769 0.044688 ] [ 0.5 0.119231 0.955312 ] [ 0 0.064807 0.25 ] [ 0 0.935193 0.75 ] [ 0 0.619231 0.544688 ] [ 0 0.380769 0.455312 ] [ 0 0.380769 0.044688 ] [ 0 0.619231 0.955312 ] [ 0.5 0.564807 0.25 ] [ 0.5 0.435193 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Er" "Er" "Er" "Er" "Cd" "Cd" "Cd" "Cd" "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" 4.52742072 "source-unit" "angstrom" } "b" { "source-value" 17.37547046 "source-unit" "angstrom" } "c" { "source-value" 11.84082741 "source-unit" "angstrom" } }