{ "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" [ [ 0.801879 0.442347 0.559902 ] [ 0.301879 0.057653 0.940098 ] [ 0.198121 0.942347 0.440098 ] [ 0.698121 0.557653 0.059902 ] [ 0.140646 0.25 0.716137 ] [ 0.640646 0.25 0.783863 ] [ 0.859354 0.75 0.283863 ] [ 0.359354 0.75 0.216137 ] [ 0.301879 0.442347 0.940098 ] [ 0.801879 0.057653 0.559902 ] [ 0.698121 0.942347 0.059902 ] [ 0.198121 0.557653 0.440098 ] [ 0.194702 0.75 0.723175 ] [ 0.694702 0.75 0.776825 ] [ 0.805298 0.25 0.276825 ] [ 0.305298 0.25 0.223175 ] [ 0.02696 0.75 0.98934 ] [ 0.52696 0.75 0.51066 ] [ 0.97304 0.25 0.01066 ] [ 0.47304 0.25 0.48934 ] [ 0.417629 0.75 0.955422 ] [ 0.917629 0.75 0.544578 ] [ 0.582371 0.25 0.044578 ] [ 0.082371 0.25 0.455422 ] [ 0.574189 0.992093 0.32491 ] [ 0.074189 0.507907 0.17509 ] [ 0.425811 0.492093 0.67509 ] [ 0.925811 0.007907 0.82491 ] [ 0.425811 0.007907 0.67509 ] [ 0.925811 0.492093 0.82491 ] [ 0.574189 0.507907 0.32491 ] [ 0.074189 0.992093 0.17509 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.45871753 "source-unit" "angstrom" } "b" { "source-value" 8.82043054 "source-unit" "angstrom" } "c" { "source-value" 10.79161503 "source-unit" "angstrom" } }