{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.271978 0.661888 ] [ 0.75 0.728022 0.338112 ] [ 0.25 0.771978 0.838112 ] [ 0.75 0.228022 0.161888 ] [ 0.25 0.419544 0.352652 ] [ 0.75 0.580456 0.647348 ] [ 0.25 0.919544 0.147348 ] [ 0.75 0.080456 0.852652 ] [ 0.75 0.120487 0.457422 ] [ 0.25 0.879513 0.542578 ] [ 0.75 0.620487 0.042578 ] [ 0.25 0.379513 0.957422 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.70935338 "source-unit" "angstrom" } "b" { "source-value" 6.82987372 "source-unit" "angstrom" } "c" { "source-value" 9.02956237 "source-unit" "angstrom" } }