{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.180427 ] [ 0 0 0.819573 ] [ 0.5 0.5 0.680427 ] [ 0.5 0.5 0.319573 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.267115 0.267115 0.067254 ] [ 0.732885 0.267115 0.932746 ] [ 0.732885 0.732885 0.067254 ] [ 0.267115 0.732885 0.932746 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.767115 0.767115 0.567254 ] [ 0.232885 0.767115 0.432746 ] [ 0.232885 0.232885 0.567254 ] [ 0.767115 0.232885 0.432746 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31709162159 "source-unit" "angstrom" } "c" { "source-value" 16.3088008938 "source-unit" "angstrom" } }