{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.737896 0.000697 ] [ 0.5 0.262104 0.500697 ] [ 0 0.576359 0.400325 ] [ 0 0.045301 0.677438 ] [ 0.5 0.954699 0.177438 ] [ 0.5 0.423641 0.900325 ] [ 0 0.846428 0.795526 ] [ 0 0.221576 0.796772 ] [ 0.255856 0.554922 0.948687 ] [ 0.5 0.221712 0.99372 ] [ 0.755856 0.445078 0.448687 ] [ 0 0.778288 0.49372 ] [ 0.244144 0.445078 0.448687 ] [ 0.254877 0.082615 0.574295 ] [ 0.245123 0.917385 0.074295 ] [ 0.745123 0.082615 0.574295 ] [ 0.5 0.778424 0.296772 ] [ 0.5 0.153572 0.295526 ] [ 0.5 0.380089 0.709956 ] [ 0 0.619911 0.209956 ] [ 0.754877 0.917385 0.074295 ] [ 0.744144 0.554922 0.948687 ] ] } "species" { "source-value" [ "Zr" "Zr" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.00331579 "source-unit" "angstrom" } "b" { "source-value" 7.43643833 "source-unit" "angstrom" } "c" { "source-value" 9.33398048 "source-unit" "angstrom" } }