{ "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" [ [ 0.75 0.063461 0.324414 ] [ 0.25 0.436539 0.824414 ] [ 0.25 0.936539 0.675586 ] [ 0.75 0.563461 0.175586 ] [ 0.25 0.665242 0.443901 ] [ 0.25 0.165241 0.056099 ] [ 0.75 0.834758 0.943901 ] [ 0.75 0.334759 0.556099 ] [ 0.25 0.020433 0.902435 ] [ 0.25 0.174442 0.496124 ] [ 0.75 0.979567 0.097565 ] [ 0.75 0.222847 0.706922 ] [ 0.25 0.777153 0.293078 ] [ 0.75 0.479567 0.402435 ] [ 0.25 0.520433 0.597565 ] [ 0.75 0.722847 0.793078 ] [ 0.75 0.825558 0.503876 ] [ 0.25 0.277153 0.206922 ] [ 0.75 0.325558 0.996124 ] [ 0.25 0.674442 0.003876 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mn" "Mn" "Mn" "Mn" "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" 3.90359529 "source-unit" "angstrom" } "b" { "source-value" 8.9240177 "source-unit" "angstrom" } "c" { "source-value" 14.6129455 "source-unit" "angstrom" } }