{ "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 0.201604 0.25 ] [ 0 0.798396 0.75 ] [ 0.5 0.084217 0.75 ] [ 0.5 0.915783 0.25 ] [ 0.5 0.701604 0.25 ] [ 0.5 0.298396 0.75 ] [ 0 0.584217 0.75 ] [ 0 0.415783 0.25 ] [ 0 0.04719 0.25 ] [ 0 0.95281 0.75 ] [ 0.5 0.54719 0.25 ] [ 0.5 0.45281 0.75 ] [ 0.5 0.908841 0.75 ] [ 0 0 0 ] [ 0 0.802335 0.25 ] [ 0.5 0.091159 0.25 ] [ 0 0 0.5 ] [ 0 0.197665 0.75 ] [ 0 0.408841 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.302335 0.25 ] [ 0 0.591159 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.697665 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.86838668937 "source-unit" "angstrom" } "b" { "source-value" 21.7568089412 "source-unit" "angstrom" } "c" { "source-value" 6.19181485 "source-unit" "angstrom" } }