{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.765844 0.770787 ] [ 0.5 0.265844 0.729213 ] [ 0.5 0.734156 0.270787 ] [ 0 0.234156 0.229213 ] [ 0.713004 0 0 ] [ 0.286996 0 0 ] [ 0 0.367083 0.871374 ] [ 0.5 0.867083 0.628626 ] [ 0.786996 0.5 0.5 ] [ 0.213004 0.5 0.5 ] [ 0.5 0.132917 0.371374 ] [ 0 0.632917 0.128626 ] [ 0 0.136633 0.926923 ] [ 0.5 0.168762 0.919439 ] [ 0 0.605769 0.903802 ] [ 0.741128 0.888304 0.792005 ] [ 0.258872 0.888304 0.792005 ] [ 0.758872 0.388304 0.707995 ] [ 0.241128 0.388304 0.707995 ] [ 0.5 0.105769 0.596198 ] [ 0 0.668762 0.580561 ] [ 0.5 0.636633 0.573077 ] [ 0.5 0.363367 0.426923 ] [ 0 0.331238 0.419439 ] [ 0.5 0.894231 0.403802 ] [ 0.758872 0.611696 0.292005 ] [ 0.241128 0.611696 0.292005 ] [ 0.741128 0.111696 0.207995 ] [ 0.258872 0.111696 0.207995 ] [ 0 0.394231 0.096198 ] [ 0.5 0.831238 0.080561 ] [ 0 0.863367 0.073077 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.8840725 "source-unit" "angstrom" } "b" { "source-value" 8.85506415 "source-unit" "angstrom" } "c" { "source-value" 8.85763119 "source-unit" "angstrom" } }