{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.012909 0.945451 0.75 ] [ 0.512909 0.554549 0.25 ] [ 0.487091 0.445451 0.75 ] [ 0.987091 0.054549 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.702634 0.295086 0.456568 ] [ 0.202634 0.204914 0.543432 ] [ 0.797366 0.795086 0.043432 ] [ 0.297366 0.704914 0.956568 ] [ 0.297366 0.704914 0.543432 ] [ 0.797366 0.795086 0.456568 ] [ 0.202634 0.204914 0.956568 ] [ 0.702634 0.295086 0.043432 ] [ 0.084119 0.480074 0.25 ] [ 0.584119 0.019926 0.75 ] [ 0.415881 0.980074 0.25 ] [ 0.915881 0.519926 0.75 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Mn" "Mn" "Mn" "Mn" "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" 5.24392017 "source-unit" "angstrom" } "b" { "source-value" 5.36995634 "source-unit" "angstrom" } "c" { "source-value" 7.46957837 "source-unit" "angstrom" } }