{ "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" [ [ 0.578667 0.519589 0.25 ] [ 0.078667 0.980411 0.75 ] [ 0.921333 0.019589 0.25 ] [ 0.421333 0.480411 0.75 ] [ 0.290032 0.210523 0.458901 ] [ 0.790032 0.289477 0.541099 ] [ 0.209968 0.710523 0.041099 ] [ 0.709968 0.789477 0.958901 ] [ 0.709968 0.789477 0.541099 ] [ 0.209968 0.710523 0.458901 ] [ 0.790032 0.289477 0.958901 ] [ 0.290032 0.210523 0.041099 ] [ 0.986799 0.539781 0.75 ] [ 0.486799 0.960219 0.25 ] [ 0.513201 0.039781 0.75 ] [ 0.013201 0.460219 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "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" 7.61088517 "source-unit" "angstrom" } "b" { "source-value" 7.76563171 "source-unit" "angstrom" } "c" { "source-value" 10.89107652 "source-unit" "angstrom" } }