{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.285688 ] [ 0 0 0.714312 ] [ 0.5 0.5 0.285688 ] [ 0.5 0.5 0.714312 ] [ 0.25 0.75 0.670139 ] [ 0.75 0.75 0.329861 ] [ 0.75 0.25 0.670139 ] [ 0.25 0.25 0.329861 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.311988 0.908473 0.844531 ] [ 0 0.162706 0.5 ] [ 0.688012 0.908473 0.155469 ] [ 0.311988 0.091527 0.155469 ] [ 0 0.837294 0.5 ] [ 0.688012 0.091527 0.844531 ] [ 0.811988 0.408473 0.844531 ] [ 0.5 0.662706 0.5 ] [ 0.188012 0.408473 0.155469 ] [ 0.811988 0.591527 0.155469 ] [ 0.5 0.337294 0.5 ] [ 0.188012 0.591527 0.844531 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "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" 5.38210929 "source-unit" "angstrom" } "b" { "source-value" 9.68266192 "source-unit" "angstrom" } "c" { "source-value" 6.06138145 "source-unit" "angstrom" } }