{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.632313 0.75 0.072173 ] [ 0.172271 0.991338 0.1457 ] [ 0.172271 0.508662 0.1457 ] [ 0.672271 0.491338 0.3543 ] [ 0.672271 0.008662 0.3543 ] [ 0.132313 0.25 0.427827 ] [ 0.867687 0.75 0.572173 ] [ 0.327729 0.991338 0.6457 ] [ 0.327729 0.508662 0.6457 ] [ 0.827729 0.491338 0.8543 ] [ 0.827729 0.008662 0.8543 ] [ 0.367687 0.25 0.927827 ] [ 0.783091 0.25 0.115437 ] [ 0.283091 0.75 0.384563 ] [ 0.716909 0.25 0.615437 ] [ 0.216909 0.75 0.884563 ] [ 0.930525 0.25 0.028108 ] [ 0.657305 0.379585 0.108705 ] [ 0.657305 0.120415 0.108705 ] [ 0.894709 0.25 0.215907 ] [ 0.394709 0.75 0.284093 ] [ 0.157305 0.879585 0.391295 ] [ 0.157305 0.620415 0.391295 ] [ 0.430525 0.75 0.471892 ] [ 0.569475 0.25 0.528108 ] [ 0.842695 0.379585 0.608705 ] [ 0.842695 0.120415 0.608705 ] [ 0.605291 0.25 0.715907 ] [ 0.105291 0.75 0.784093 ] [ 0.342695 0.879585 0.891295 ] [ 0.342695 0.620415 0.891295 ] [ 0.069475 0.75 0.971892 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.31910527 "source-unit" "angstrom" } "b" { "source-value" 8.91961577 "source-unit" "angstrom" } "c" { "source-value" 12.16956104 "source-unit" "angstrom" } }