{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.322297 0.75 0.434368 ] [ 0.822297 0.25 0.065632 ] [ 0.677703 0.25 0.565632 ] [ 0.177703 0.75 0.934368 ] [ 0.044567 0.75 0.663928 ] [ 0.544567 0.25 0.836072 ] [ 0.955433 0.25 0.336072 ] [ 0.455433 0.75 0.163928 ] [ 0.219282 0.472906 0.3015 ] [ 0.719282 0.527094 0.1985 ] [ 0.780718 0.972906 0.6985 ] [ 0.280718 0.027094 0.8015 ] [ 0.780718 0.527094 0.6985 ] [ 0.280718 0.472906 0.8015 ] [ 0.219282 0.027094 0.3015 ] [ 0.719282 0.972906 0.1985 ] [ 0.696266 0.75 0.074965 ] [ 0.196266 0.25 0.425035 ] [ 0.303734 0.25 0.925035 ] [ 0.803734 0.75 0.574965 ] [ 0.281849 0.976328 0.0958 ] [ 0.781849 0.023672 0.4042 ] [ 0.718151 0.476328 0.9042 ] [ 0.218151 0.523672 0.5958 ] [ 0.718151 0.023672 0.9042 ] [ 0.218151 0.976328 0.5958 ] [ 0.281849 0.523672 0.0958 ] [ 0.781849 0.476328 0.4042 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Te" "Te" "Te" "Te" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.95224263 "source-unit" "angstrom" } "b" { "source-value" 6.28077468 "source-unit" "angstrom" } "c" { "source-value" 17.12731099 "source-unit" "angstrom" } }