{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.115855 ] [ 0.5 0 0.884145 ] [ 0 0.5 0.709773 ] [ 0.5 0 0.290227 ] [ 0 0.5 0.925242 ] [ 0.5 0 0.074758 ] [ 0 0.5 0.562877 ] [ 0.5 0 0.437123 ] [ 0 0 0.7505 ] [ 0.5 0.5 0.7505 ] [ 0.5 0.5 0.2495 ] [ 0 0 0.2495 ] ] } "species" { "source-value" [ "Li" "Li" "Nd" "Nd" "Ti" "Ti" "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" 3.7473832 "source-unit" "angstrom" } "c" { "source-value" 12.24777846 "source-unit" "angstrom" } }