{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.822 0.364206 ] [ 0.5 0.178 0.635794 ] [ 0.5 0.322 0.135794 ] [ 0.5 0.678 0.864206 ] [ 0 0.364709 0.404641 ] [ 0 0.635291 0.595359 ] [ 0 0.864709 0.095359 ] [ 0 0.135291 0.904641 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10411592 "source-unit" "angstrom" } "b" { "source-value" 6.32335126 "source-unit" "angstrom" } "c" { "source-value" 11.82244512 "source-unit" "angstrom" } }