{ "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 0.165179 0.186597 ] [ 0.75 0.834821 0.813403 ] [ 0.75 0.665179 0.313403 ] [ 0.25 0.334821 0.686597 ] [ 0.25 0.692055 0.061194 ] [ 0.75 0.307945 0.938806 ] [ 0.75 0.192055 0.438806 ] [ 0.25 0.807945 0.561194 ] [ 0.25 0.561914 0.17204 ] [ 0.75 0.438086 0.82796 ] [ 0.75 0.061914 0.32796 ] [ 0.25 0.938086 0.67204 ] [ 0.25 0.611068 0.924626 ] [ 0.75 0.388932 0.075374 ] [ 0.75 0.111068 0.575374 ] [ 0.25 0.888932 0.424626 ] [ 0.04968 0.802859 0.07598 ] [ 0.54968 0.197141 0.92402 ] [ 0.95032 0.302859 0.42402 ] [ 0.45032 0.697141 0.57598 ] [ 0.95032 0.197141 0.92402 ] [ 0.45032 0.802859 0.07598 ] [ 0.04968 0.697141 0.57598 ] [ 0.54968 0.302859 0.42402 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "B" "B" "B" "B" "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" 5.78660698 "source-unit" "angstrom" } "b" { "source-value" 7.46079338 "source-unit" "angstrom" } "c" { "source-value" 9.29868427 "source-unit" "angstrom" } }