{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.333303 0.750072 0.833319 ] [ 0.333303 0.749928 0.333319 ] [ 0.666697 0.250072 0.666681 ] [ 0.666697 0.249928 0.166681 ] [ 0.618928 0.250255 0.960219 ] [ 0.301426 0.250947 0.690579 ] [ 0.91906 0.748648 0.650528 ] [ 0.08094 0.248648 0.849472 ] [ 0.618928 0.249745 0.460219 ] [ 0.301426 0.249053 0.190579 ] [ 0.698574 0.750947 0.809421 ] [ 0.381072 0.750255 0.539781 ] [ 0.91906 0.751352 0.150528 ] [ 0.08094 0.251352 0.349472 ] [ 0.698574 0.749053 0.309421 ] [ 0.381072 0.749745 0.039781 ] ] } "species" { "source-value" [ "Na" "Na" "Pr" "Pr" "Pr" "Pr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.98991176 "source-unit" "angstrom" } "b" { "source-value" 3.9557064 "source-unit" "angstrom" } "c" { "source-value" 16.00004815 "source-unit" "angstrom" } "beta" { "source-value" 119.95582907 "source-unit" "degree" } }