{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.121928 ] [ 0 0.75 0.378072 ] [ 0 0.25 0.621928 ] [ 0.5 0.25 0.878072 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.276979 0.25 0.486916 ] [ 0.5 0.478392 0.261577 ] [ 0 0.521608 0.761577 ] [ 0.223021 0.75 0.986916 ] [ 0.276979 0.75 0.513084 ] [ 0 0.021608 0.238423 ] [ 0.5 0.978392 0.738423 ] [ 0.223021 0.25 0.013084 ] [ 0.776979 0.75 0.986916 ] [ 0 0.978392 0.761577 ] [ 0.5 0.021608 0.261577 ] [ 0.723021 0.25 0.486916 ] [ 0.776979 0.25 0.013084 ] [ 0.5 0.521608 0.738423 ] [ 0 0.478392 0.238423 ] [ 0.723021 0.75 0.513084 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "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" 5.97050804 "source-unit" "angstrom" } "b" { "source-value" 5.99245632 "source-unit" "angstrom" } "c" { "source-value" 8.00882297 "source-unit" "angstrom" } }