{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.75 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.734164 0.987529 ] [ 0.481151 0.5 0.749137 ] [ 0.75 0.765836 0.487529 ] [ 0.018849 0.5 0.749137 ] [ 0.481151 0 0.750863 ] [ 0.75 0.734164 0.012471 ] [ 0.018849 0 0.750863 ] [ 0.25 0.765836 0.512471 ] [ 0.75 0.234164 0.487529 ] [ 0.981151 0 0.249137 ] [ 0.25 0.265836 0.987529 ] [ 0.518849 0 0.249137 ] [ 0.981151 0.5 0.250863 ] [ 0.25 0.234164 0.512471 ] [ 0.518849 0.5 0.250863 ] [ 0.75 0.265836 0.012471 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.82900344 "source-unit" "angstrom" } "b" { "source-value" 5.84835743 "source-unit" "angstrom" } "c" { "source-value" 8.28388532 "source-unit" "angstrom" } }