{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.248498 ] [ 0.5 0.5 0.251502 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.748498 ] [ 0 0 0.5 ] [ 0 0 0.751502 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.607551 ] [ 0.5 0 0.107551 ] [ 0 0.5 0.392449 ] [ 0 0.5 0.892449 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10912375 "source-unit" "angstrom" } "c" { "source-value" 11.68790212 "source-unit" "angstrom" } }