{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.356002 0.5 ] [ 0 0.695439 0.5 ] [ 0 0.008189 0 ] [ 0.5 0.643998 0 ] [ 0.5 0.991811 0.5 ] [ 0.5 0.304561 0 ] [ 0 0.874141 0.747964 ] [ 0 0.874141 0.252036 ] [ 0 0.376304 0.755157 ] [ 0 0.376304 0.244843 ] [ 0.5 0.623696 0.744843 ] [ 0.5 0.623696 0.255157 ] [ 0.5 0.125859 0.247964 ] [ 0.5 0.125859 0.752036 ] [ 0 0.707688 0.835822 ] [ 0 0.207959 0.84755 ] [ 0 0.707688 0.164178 ] [ 0 0.537147 0.658184 ] [ 0 0.207959 0.15245 ] [ 0 0.043443 0.661565 ] [ 0 0.537147 0.341816 ] [ 0 0.043443 0.338435 ] [ 0.5 0.462853 0.841816 ] [ 0.5 0.956557 0.838435 ] [ 0.5 0.792041 0.65245 ] [ 0.5 0.292312 0.664178 ] [ 0.5 0.956557 0.161565 ] [ 0.5 0.792041 0.34755 ] [ 0.5 0.462853 0.158184 ] [ 0.5 0.292312 0.335822 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "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" 2.87968341 "source-unit" "angstrom" } "b" { "source-value" 9.81556651 "source-unit" "angstrom" } "c" { "source-value" 10.88678368 "source-unit" "angstrom" } }