{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.011792 0.75 0.72636 ] [ 0.488208 0.75 0.22636 ] [ 0.988208 0.25 0.27364 ] [ 0.511792 0.25 0.77364 ] [ 0.586629 0.75 0.904734 ] [ 0.913371 0.75 0.404734 ] [ 0.413371 0.25 0.095266 ] [ 0.086629 0.25 0.595266 ] [ 0.740422 0.75 0.063009 ] [ 0.759578 0.75 0.563009 ] [ 0.259578 0.25 0.936991 ] [ 0.240422 0.25 0.436991 ] [ 0.223475 0.75 0.906957 ] [ 0.276525 0.75 0.406957 ] [ 0.776525 0.25 0.093043 ] [ 0.723475 0.25 0.593043 ] [ 0.754238 0.976353 0.828431 ] [ 0.745762 0.523647 0.328431 ] [ 0.245762 0.476353 0.171569 ] [ 0.254238 0.023647 0.671569 ] [ 0.245762 0.023647 0.171569 ] [ 0.254238 0.476353 0.671569 ] [ 0.754238 0.523647 0.828431 ] [ 0.745762 0.976353 0.328431 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.5863357 "source-unit" "angstrom" } "b" { "source-value" 8.29476515 "source-unit" "angstrom" } "c" { "source-value" 13.99080068 "source-unit" "angstrom" } }