{ "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 0.247615 0.710191 ] [ 0.25 0.252385 0.210191 ] [ 0.75 0.747615 0.789809 ] [ 0.25 0.752385 0.289809 ] [ 0.25 0.948385 0.987786 ] [ 0.25 0.448385 0.512214 ] [ 0.75 0.551615 0.487786 ] [ 0.75 0.051615 0.012214 ] [ 0.25 0.233139 0.529858 ] [ 0.25 0.733139 0.970142 ] [ 0.75 0.766861 0.470142 ] [ 0.75 0.266861 0.029858 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "B" "B" "B" "B" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.08293396 "source-unit" "angstrom" } "b" { "source-value" 5.90884827 "source-unit" "angstrom" } "c" { "source-value" 6.47653084 "source-unit" "angstrom" } }