{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.039268 ] [ 0 0 0.248608 ] [ 0.5 0 0.960732 ] [ 0 0 0.751392 ] [ 0.5 0 0.539268 ] [ 0.5 0.5 0.748608 ] [ 0 0.5 0.460732 ] [ 0.5 0.5 0.251392 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Mn" "Mn" "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" 4.11894637 "source-unit" "angstrom" } "c" { "source-value" 9.25344701 "source-unit" "angstrom" } }