{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.327757 0.25 ] [ 0 0.672243 0.75 ] [ 0.5 0.827757 0.25 ] [ 0.5 0.172243 0.75 ] [ 0.137506 0 0 ] [ 0.862494 0 0.5 ] [ 0.862494 0 0 ] [ 0.137506 0 0.5 ] [ 0.637506 0.5 0 ] [ 0.362494 0.5 0.5 ] [ 0.362494 0.5 0 ] [ 0.637506 0.5 0.5 ] [ 0 0.879503 0.25 ] [ 0 0.120497 0.75 ] [ 0.723632 0.884455 0.75 ] [ 0.276368 0.115545 0.25 ] [ 0.723632 0.115545 0.25 ] [ 0.276368 0.884455 0.75 ] [ 0.5 0.379503 0.25 ] [ 0.5 0.620497 0.75 ] [ 0.223632 0.384455 0.75 ] [ 0.776368 0.615545 0.25 ] [ 0.223632 0.615545 0.25 ] [ 0.776368 0.384455 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4974911302 "source-unit" "angstrom" } "b" { "source-value" 13.8334287458 "source-unit" "angstrom" } "c" { "source-value" 6.08358897 "source-unit" "angstrom" } }