{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.0173 0.702549 ] [ 0.5 0.9827 0.202549 ] [ 0 0.632303 0.502979 ] [ 0 0.367697 0.002979 ] [ 0.5 0.533886 0.174026 ] [ 0 0.918668 0.917425 ] [ 0.5 0.466114 0.674026 ] [ 0 0.081332 0.417425 ] [ 0.5 0.358989 0.088886 ] [ 0.5 0.641011 0.588886 ] [ 0.78818 0.986381 0.454363 ] [ 0.718086 0.378817 0.710813 ] [ 0.718086 0.621183 0.210813 ] [ 0.21182 0.986381 0.454363 ] [ 0 0.737742 0.839785 ] [ 0.21182 0.013619 0.954363 ] [ 0.281914 0.378817 0.710813 ] [ 0.281914 0.621183 0.210813 ] [ 0 0.262258 0.339785 ] [ 0.78818 0.013619 0.954363 ] ] } "species" { "source-value" [ "Na" "Na" "La" "La" "C" "C" "C" "C" "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" 5.21558039 "source-unit" "angstrom" } "b" { "source-value" 6.50422885 "source-unit" "angstrom" } "c" { "source-value" 7.28392682 "source-unit" "angstrom" } }