{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0.510427 0.223165 ] [ 0.781371 0.75 0.99958 ] [ 0 0.989573 0.223165 ] [ 0.781371 0.25 0.00042 ] [ 0.218629 0.75 0.99958 ] [ 0 0.010427 0.776835 ] [ 0.218629 0.25 0.00042 ] [ 0 0.489573 0.776835 ] [ 0.5 0.010427 0.723165 ] [ 0.281371 0.25 0.49958 ] [ 0.5 0.489573 0.723165 ] [ 0.281371 0.75 0.50042 ] [ 0.718629 0.25 0.49958 ] [ 0.5 0.510427 0.276835 ] [ 0.718629 0.75 0.50042 ] [ 0.5 0.989573 0.276835 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "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" 5.8498298 "source-unit" "angstrom" } "b" { "source-value" 5.86058551 "source-unit" "angstrom" } "c" { "source-value" 8.46906493 "source-unit" "angstrom" } }