{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.893963 0.083325 ] [ 0.75 0.846651 0.74212 ] [ 0.25 0.653349 0.24212 ] [ 0.25 0.606037 0.583325 ] [ 0.75 0.393963 0.416675 ] [ 0.75 0.346651 0.75788 ] [ 0.25 0.153349 0.25788 ] [ 0.25 0.106037 0.916675 ] [ 0.75 0.889836 0.427715 ] [ 0.25 0.610164 0.927715 ] [ 0.75 0.389836 0.072285 ] [ 0.25 0.110164 0.572285 ] [ 0.25 0.915247 0.172446 ] [ 0.25 0.924022 0.459781 ] [ 0.25 0.891008 0.648794 ] [ 0.25 0.841274 0.995767 ] [ 0.75 0.740801 0.327203 ] [ 0.25 0.759199 0.827203 ] [ 0.75 0.658726 0.495767 ] [ 0.75 0.608992 0.148794 ] [ 0.75 0.575978 0.959781 ] [ 0.75 0.584753 0.672446 ] [ 0.25 0.415247 0.327554 ] [ 0.25 0.424022 0.040219 ] [ 0.25 0.391008 0.851206 ] [ 0.25 0.341274 0.504233 ] [ 0.75 0.240801 0.172797 ] [ 0.25 0.259199 0.672797 ] [ 0.75 0.158726 0.004233 ] [ 0.75 0.108992 0.351206 ] [ 0.75 0.075978 0.540219 ] [ 0.75 0.084753 0.827554 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Hf" "Hf" "Hf" "Hf" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.90899766 "source-unit" "angstrom" } "b" { "source-value" 7.82530341 "source-unit" "angstrom" } "c" { "source-value" 16.48753197 "source-unit" "angstrom" } }