{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.93868 0.5 0.75 ] [ 0.06132 0 0.25 ] [ 0.06132 0.5 0.25 ] [ 0.93868 0 0.75 ] [ 0.437984 0.75 0.972033 ] [ 0.437984 0.25 0.527967 ] [ 0.562016 0.75 0.472033 ] [ 0.562016 0.25 0.027967 ] [ 0.383337 0.25 0.949895 ] [ 0.383337 0.75 0.550105 ] [ 0.616663 0.75 0.050105 ] [ 0.616663 0.25 0.449895 ] [ 0.133808 0.25 0.000599 ] [ 0.133808 0.75 0.499401 ] [ 0.866192 0.25 0.500599 ] [ 0.866192 0.75 0.999401 ] [ 0.448547 0.25 0.818446 ] [ 0.448547 0.75 0.681554 ] [ 0.551453 0.75 0.181554 ] [ 0.551453 0.25 0.318446 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "H" "H" "H" "H" "C" "C" "C" "C" "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" 4.7261383 "source-unit" "angstrom" } "b" { "source-value" 7.50851169 "source-unit" "angstrom" } "c" { "source-value" 9.38712047 "source-unit" "angstrom" } }