{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmn" } "basis-atom-coordinates" { "source-value" [ [ 0.014512 0 0.307772 ] [ 0.485488 0.5 0.807772 ] [ 0.514512 0.5 0.192228 ] [ 0.985488 0 0.692228 ] [ 0 0.26835 0 ] [ 0 0.73165 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0.23165 0.5 ] [ 0.5 0.76835 0.5 ] [ 0.847954 0 0.883868 ] [ 0.820577 0.258435 0.609924 ] [ 0.820577 0.741565 0.609924 ] [ 0.831033 0.5 0.878476 ] [ 0.668967 0 0.378476 ] [ 0.679423 0.241565 0.109924 ] [ 0.679423 0.758435 0.109924 ] [ 0.652046 0.5 0.383868 ] [ 0.347954 0.5 0.616132 ] [ 0.320577 0.241565 0.890076 ] [ 0.320577 0.758435 0.890076 ] [ 0.331033 0 0.621524 ] [ 0.168967 0.5 0.121524 ] [ 0.179423 0.258435 0.390076 ] [ 0.179423 0.741565 0.390076 ] [ 0.152046 0 0.116132 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.36609751 "source-unit" "angstrom" } "b" { "source-value" 6.21212929 "source-unit" "angstrom" } "c" { "source-value" 9.78262348 "source-unit" "angstrom" } }