{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.1698 ] [ 0.5 0.5 0.333004 ] [ 0 0 0.5 ] [ 0.5 0.5 0.666996 ] [ 0 0 0.8302 ] [ 0.5 0.5 0.166472 ] [ 0 0 0.333569 ] [ 0.5 0.5 0.5 ] [ 0 0 0.666431 ] [ 0.5 0.5 0.833528 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.96783831 "source-unit" "angstrom" } "c" { "source-value" 12.74738937 "source-unit" "angstrom" } }