{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.671135 0.25 ] [ 0 0.328865 0.75 ] [ 0.5 0.171135 0.25 ] [ 0.5 0.828865 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.349833 0.25 ] [ 0 0.650167 0.75 ] [ 0.5 0.849833 0.25 ] [ 0.5 0.150167 0.75 ] [ 0.268988 0.032219 0.75 ] [ 0.731012 0.032219 0.75 ] [ 0.731012 0.967781 0.25 ] [ 0.268988 0.967781 0.25 ] [ 0 0.754615 0.954317 ] [ 0 0.245385 0.045683 ] [ 0 0.245385 0.454317 ] [ 0 0.754615 0.545683 ] [ 0.768988 0.532219 0.75 ] [ 0.231012 0.532219 0.75 ] [ 0.231012 0.467781 0.25 ] [ 0.768988 0.467781 0.25 ] [ 0.5 0.254615 0.954317 ] [ 0.5 0.745385 0.045683 ] [ 0.5 0.745385 0.454317 ] [ 0.5 0.254615 0.545683 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 5.41915779799 "source-unit" "angstrom" } "b" { "source-value" 8.22628648595 "source-unit" "angstrom" } "c" { "source-value" 6.19880152 "source-unit" "angstrom" } }