{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.199654 ] [ 0.25 0 0.300346 ] [ 0.75 0 0.699654 ] [ 0.75 0.5 0.800346 ] [ 0.25 0.311512 0.585955 ] [ 0.25 0.188488 0.914045 ] [ 0.75 0.188488 0.085955 ] [ 0.75 0.311512 0.414045 ] [ 0.75 0.811512 0.085955 ] [ 0.75 0.688488 0.414045 ] [ 0.25 0.688488 0.585955 ] [ 0.25 0.811512 0.914045 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.59021588612 "source-unit" "angstrom" } "b" { "source-value" 7.38488333454 "source-unit" "angstrom" } "c" { "source-value" 7.58313088712 "source-unit" "angstrom" } }