{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.986678 0.05366 0.25 ] [ 0.513322 0.55366 0.25 ] [ 0.486678 0.44634 0.75 ] [ 0.013322 0.94634 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.287378 0.710342 0.543351 ] [ 0.212622 0.210342 0.956649 ] [ 0.787378 0.789658 0.456649 ] [ 0.712622 0.289658 0.043351 ] [ 0.712622 0.289658 0.456649 ] [ 0.787378 0.789658 0.043351 ] [ 0.212622 0.210342 0.543351 ] [ 0.287378 0.710342 0.956649 ] [ 0.917491 0.515827 0.75 ] [ 0.582509 0.015827 0.75 ] [ 0.082509 0.484173 0.25 ] [ 0.417491 0.984173 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Co" "Co" "Co" "Co" "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" 5.43781585 "source-unit" "angstrom" } "b" { "source-value" 5.57160196 "source-unit" "angstrom" } "c" { "source-value" 7.66577115 "source-unit" "angstrom" } }