{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.986494 0.815299 ] [ 0.25 0.013506 0.184701 ] [ 0.75 0.486494 0.684701 ] [ 0.25 0.513506 0.315299 ] [ 0.75 0.853075 0.424432 ] [ 0.25 0.146925 0.575568 ] [ 0.75 0.353075 0.075568 ] [ 0.25 0.646925 0.924432 ] [ 0.75 0.720455 0.104509 ] [ 0.25 0.279545 0.895491 ] [ 0.75 0.220455 0.395491 ] [ 0.25 0.779545 0.604509 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "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" 4.66617197 "source-unit" "angstrom" } "b" { "source-value" 7.81392874 "source-unit" "angstrom" } "c" { "source-value" 8.4172371 "source-unit" "angstrom" } }