{ "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" [ [ 0.25 0.354046 0.089177 ] [ 0.75 0.645954 0.910823 ] [ 0.75 0.854046 0.410823 ] [ 0.25 0.145954 0.589177 ] [ 0.25 0.453832 0.69761 ] [ 0.75 0.546168 0.30239 ] [ 0.75 0.953832 0.80239 ] [ 0.25 0.046168 0.19761 ] [ 0.25 0.796782 0.674842 ] [ 0.75 0.203218 0.325158 ] [ 0.75 0.296782 0.825158 ] [ 0.25 0.703218 0.174842 ] [ 0.25 0.392129 0.444379 ] [ 0.75 0.607871 0.555621 ] [ 0.75 0.892129 0.055621 ] [ 0.25 0.107871 0.944379 ] [ 0.25 0.443939 0.568843 ] [ 0.75 0.556061 0.431157 ] [ 0.75 0.943939 0.931157 ] [ 0.25 0.056061 0.068843 ] [ 0.25 0.769227 0.546997 ] [ 0.75 0.230773 0.453003 ] [ 0.75 0.269227 0.953003 ] [ 0.25 0.730773 0.046997 ] [ 0.25 0.797708 0.803143 ] [ 0.75 0.202292 0.196857 ] [ 0.75 0.297708 0.696857 ] [ 0.25 0.702292 0.303143 ] [ 0.25 0.454384 0.82573 ] [ 0.75 0.545616 0.17427 ] [ 0.75 0.954384 0.67427 ] [ 0.25 0.045616 0.32573 ] [ 0.25 0.37529 0.313768 ] [ 0.75 0.62471 0.686232 ] [ 0.75 0.87529 0.186232 ] [ 0.25 0.12471 0.813768 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41002277 "source-unit" "angstrom" } "b" { "source-value" 13.1967695 "source-unit" "angstrom" } "c" { "source-value" 23.81560412 "source-unit" "angstrom" } }