{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.5 0 0 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.25 ] [ 0 0 0.5 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.98792 0.244521 ] [ 0.762429 0.75 0.007213 ] [ 0 0.51208 0.244521 ] [ 0.237571 0.75 0.007213 ] [ 0.762429 0.25 0.992787 ] [ 0 0.48792 0.755479 ] [ 0.237571 0.25 0.992787 ] [ 0 0.01208 0.755479 ] [ 0.5 0.48792 0.744521 ] [ 0.262429 0.25 0.507213 ] [ 0.5 0.01208 0.744521 ] [ 0.737571 0.25 0.507213 ] [ 0.262429 0.75 0.492787 ] [ 0.5 0.98792 0.255479 ] [ 0.737571 0.75 0.492787 ] [ 0.5 0.51208 0.255479 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "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" 5.94766542 "source-unit" "angstrom" } "b" { "source-value" 5.97655157 "source-unit" "angstrom" } "c" { "source-value" 8.33134814 "source-unit" "angstrom" } }