{ "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 0.185152 0.25 ] [ 0 0.814848 0.75 ] [ 0.5 0.685152 0.25 ] [ 0.5 0.314848 0.75 ] [ 0 0.152351 0.557298 ] [ 0 0.152351 0.942702 ] [ 0 0.847649 0.057298 ] [ 0 0.847649 0.442702 ] [ 0.5 0.652351 0.557298 ] [ 0.5 0.652351 0.942702 ] [ 0.5 0.347649 0.057298 ] [ 0.5 0.347649 0.442702 ] [ 0.5 0.812781 0.436374 ] [ 0.5 0.812781 0.063626 ] [ 0.5 0.187219 0.936374 ] [ 0.5 0.187219 0.563626 ] [ 0 0.312781 0.436374 ] [ 0 0.312781 0.063626 ] [ 0 0.687219 0.936374 ] [ 0 0.687219 0.563626 ] [ 0 0.040836 0.115515 ] [ 0 0.040836 0.384485 ] [ 0 0.235441 0.75 ] [ 0 0.764559 0.25 ] [ 0 0.959164 0.615515 ] [ 0 0.959164 0.884485 ] [ 0.5 0.540836 0.115515 ] [ 0.5 0.540836 0.384485 ] [ 0.5 0.735441 0.75 ] [ 0.5 0.264559 0.25 ] [ 0.5 0.459164 0.615515 ] [ 0.5 0.459164 0.884485 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.83628597 "source-unit" "angstrom" } "b" { "source-value" 9.93238098 "source-unit" "angstrom" } "c" { "source-value" 10.22395616 "source-unit" "angstrom" } }