{ "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 0.75082 0.25 ] [ 0 0.24918 0.75 ] [ 0.5 0.25082 0.25 ] [ 0.5 0.74918 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.960953 0.25 ] [ 0.5 0.039047 0.75 ] [ 0 0.460953 0.25 ] [ 0 0.539047 0.75 ] [ 0.5 0.881637 0.042338 ] [ 0.5 0.118363 0.957662 ] [ 0 0.936167 0.75 ] [ 0 0.063833 0.25 ] [ 0.5 0.881637 0.457662 ] [ 0.5 0.118363 0.542338 ] [ 0 0.381637 0.042338 ] [ 0 0.618363 0.957662 ] [ 0.5 0.436167 0.75 ] [ 0.5 0.563833 0.25 ] [ 0 0.381637 0.457662 ] [ 0 0.618363 0.542338 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Lu" "Lu" "Lu" "Lu" "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" 4.49683844 "source-unit" "angstrom" } "b" { "source-value" 17.37508126 "source-unit" "angstrom" } "c" { "source-value" 11.78557192 "source-unit" "angstrom" } }