{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.759587 0.25 ] [ 0.5 0.240413 0.75 ] [ 0 0.259587 0.25 ] [ 0 0.740413 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.034578 0.25 ] [ 0.5 0.965422 0.75 ] [ 0 0.534578 0.25 ] [ 0 0.465422 0.75 ] [ 0.5 0.112014 0.057577 ] [ 0 0.948754 0.25 ] [ 0.5 0.112014 0.442423 ] [ 0.5 0.887986 0.557577 ] [ 0 0.051246 0.75 ] [ 0.5 0.887986 0.942423 ] [ 0 0.612014 0.057577 ] [ 0.5 0.448754 0.25 ] [ 0 0.612014 0.442423 ] [ 0 0.387986 0.557577 ] [ 0.5 0.551246 0.75 ] [ 0 0.387986 0.942423 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Np" "Np" "Np" "Np" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "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" 4.02188356 "source-unit" "angstrom" } "b" { "source-value" 15.48063362 "source-unit" "angstrom" } "c" { "source-value" 10.19887228 "source-unit" "angstrom" } }