{ "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 0.543491 0.832603 ] [ 0.75 0.456509 0.167397 ] [ 0.25 0.043491 0.667397 ] [ 0.75 0.956509 0.332603 ] [ 0.25 0.757091 0.137368 ] [ 0.75 0.242909 0.862632 ] [ 0.25 0.257091 0.362632 ] [ 0.75 0.742909 0.637368 ] [ 0.75 0.865362 0.937396 ] [ 0.25 0.134638 0.062604 ] [ 0.75 0.365362 0.562604 ] [ 0.25 0.634638 0.437396 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.50713178 "source-unit" "angstrom" } "b" { "source-value" 6.94837208 "source-unit" "angstrom" } "c" { "source-value" 8.20530957 "source-unit" "angstrom" } }