{ "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 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.647122 0.75 ] [ 0 0.352878 0.25 ] [ 0.5 0.147122 0.75 ] [ 0.5 0.852878 0.25 ] [ 0.243788 0.017461 0.75 ] [ 0.243788 0.982539 0.25 ] [ 0 0.77101 0.519577 ] [ 0 0.22899 0.019577 ] [ 0 0.22899 0.480423 ] [ 0 0.77101 0.980423 ] [ 0.756212 0.982539 0.25 ] [ 0.756212 0.017461 0.75 ] [ 0.743788 0.517461 0.75 ] [ 0.743788 0.482539 0.25 ] [ 0.5 0.27101 0.519577 ] [ 0.5 0.72899 0.019577 ] [ 0.5 0.72899 0.480423 ] [ 0.5 0.27101 0.980423 ] [ 0.256212 0.482539 0.25 ] [ 0.256212 0.517461 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "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" 5.82094366 "source-unit" "angstrom" } "b" { "source-value" 8.65385442 "source-unit" "angstrom" } "c" { "source-value" 6.4314203 "source-unit" "angstrom" } }