{ "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 0.157825 0.06859 ] [ 0.25 0.842175 0.93141 ] [ 0.75 0.657825 0.43141 ] [ 0.25 0.342175 0.56859 ] [ 0.75 0.515723 0.832744 ] [ 0.25 0.484277 0.167256 ] [ 0.75 0.015723 0.667256 ] [ 0.25 0.984277 0.332744 ] [ 0.75 0.710329 0.092322 ] [ 0.25 0.289671 0.907678 ] [ 0.75 0.210329 0.407678 ] [ 0.25 0.789671 0.592322 ] [ 0.75 0.822551 0.152684 ] [ 0.25 0.177449 0.847316 ] [ 0.75 0.322551 0.347316 ] [ 0.25 0.677449 0.652684 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04677456 "source-unit" "angstrom" } "b" { "source-value" 9.82443114 "source-unit" "angstrom" } "c" { "source-value" 10.48842301 "source-unit" "angstrom" } }