{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.058988 0.25 ] [ 0 0.941012 0.75 ] [ 0.5 0.714444 0.25 ] [ 0.5 0.576755 0.886729 ] [ 0 0.639981 0.078093 ] [ 0.5 0.423245 0.386729 ] [ 0.5 0.423245 0.113271 ] [ 0 0.360019 0.921907 ] [ 0 0.360019 0.578093 ] [ 0.5 0.576755 0.613271 ] [ 0 0.639981 0.421907 ] [ 0.5 0.285556 0.75 ] [ 0.5 0.220322 0.527999 ] [ 0 0.457502 0.25 ] [ 0.5 0.779678 0.027999 ] [ 0 0.542498 0.75 ] [ 0.5 0.220322 0.972001 ] [ 0.5 0.779678 0.472001 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.91495279 "source-unit" "angstrom" } "b" { "source-value" 9.01488925 "source-unit" "angstrom" } "c" { "source-value" 9.60712721 "source-unit" "angstrom" } }