{ "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" [ [ 0.661799 0.794933 0.5 ] [ 0.338201 0.294933 0 ] [ 0.842825 0.452642 0.584886 ] [ 0.842825 0.452642 0.415114 ] [ 0.157175 0.952642 0.915114 ] [ 0.157175 0.952642 0.084886 ] [ 0.749895 0.73617 0.746424 ] [ 0.749895 0.73617 0.253576 ] [ 0.250105 0.23617 0.753576 ] [ 0.250105 0.23617 0.246424 ] [ 0.724313 0.495609 0.5 ] [ 0.275687 0.995609 0 ] [ 0.699552 0.009793 0.5 ] [ 0.300448 0.509793 0 ] [ 0.214851 0.764841 0.5 ] [ 0.785149 0.264841 0 ] ] } "species" { "source-value" [ "Mo" "Mo" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "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" 3.92988313 "source-unit" "angstrom" } "b" { "source-value" 7.88999062 "source-unit" "angstrom" } "c" { "source-value" 9.26396838 "source-unit" "angstrom" } }