{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.751302 0.151615 0.646782 ] [ 0.251302 0.348385 0.853218 ] [ 0.751302 0.151615 0.353218 ] [ 0.251302 0.348385 0.146782 ] [ 0.748698 0.651615 0.146782 ] [ 0.248698 0.848385 0.353218 ] [ 0.248698 0.848385 0.646782 ] [ 0.748698 0.651615 0.853218 ] [ 0.808527 0.715785 0 ] [ 0.308527 0.784215 0.5 ] [ 0.79464 0.10302 0.214853 ] [ 0.29464 0.39698 0.285147 ] [ 0.70536 0.60302 0.285147 ] [ 0.20536 0.89698 0.214853 ] [ 0.20536 0.89698 0.785147 ] [ 0.70536 0.60302 0.714853 ] [ 0.29464 0.39698 0.714853 ] [ 0.79464 0.10302 0.785147 ] [ 0.691473 0.215785 0.5 ] [ 0.191473 0.284215 0 ] ] } "species" { "source-value" [ "Cd" "Cd" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.61966002 "source-unit" "angstrom" } "b" { "source-value" 7.70977595 "source-unit" "angstrom" } "c" { "source-value" 7.77460304 "source-unit" "angstrom" } }