{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.667218 0.319581 ] [ 0.75 0.832782 0.819581 ] [ 0.25 0.167218 0.180419 ] [ 0.25 0.332782 0.680419 ] [ 0.75 0.3074 0.930225 ] [ 0.25 0.8074 0.569775 ] [ 0.25 0.6926 0.069775 ] [ 0.75 0.1926 0.430225 ] [ 0.25 0.551666 0.21416 ] [ 0.75 0.051666 0.28584 ] [ 0.25 0.915523 0.40897 ] [ 0.506677 0.327776 0.418724 ] [ 0.75 0.084477 0.59103 ] [ 0.75 0.415523 0.09103 ] [ 0.25 0.584477 0.90897 ] [ 0.493323 0.827776 0.081276 ] [ 0.993323 0.327776 0.418724 ] [ 0.493323 0.672224 0.581276 ] [ 0.993323 0.172224 0.918724 ] [ 0.506677 0.172224 0.918724 ] [ 0.75 0.448334 0.78584 ] [ 0.006677 0.827776 0.081276 ] [ 0.006677 0.672224 0.581276 ] [ 0.25 0.948334 0.71416 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ga" "Ga" "Ga" "Ga" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.33287362 "source-unit" "angstrom" } "b" { "source-value" 9.67561393 "source-unit" "angstrom" } "c" { "source-value" 11.96778971 "source-unit" "angstrom" } }