{ "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" [ [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.235164 0.25 0.007098 ] [ 0.764836 0.25 0.007098 ] [ 0 0.987057 0.758419 ] [ 0 0.512943 0.758419 ] [ 0 0.487057 0.241581 ] [ 0 0.012943 0.241581 ] [ 0.235164 0.75 0.992902 ] [ 0.764836 0.75 0.992902 ] [ 0.735164 0.75 0.507098 ] [ 0.264836 0.75 0.507098 ] [ 0.5 0.487057 0.258419 ] [ 0.5 0.012943 0.258419 ] [ 0.5 0.987057 0.741581 ] [ 0.5 0.512943 0.741581 ] [ 0.735164 0.25 0.492902 ] [ 0.264836 0.25 0.492902 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "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" 5.92586343 "source-unit" "angstrom" } "b" { "source-value" 5.94942273 "source-unit" "angstrom" } "c" { "source-value" 8.44120805 "source-unit" "angstrom" } }