{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.916299 ] [ 0 0.5 0.083701 ] [ 0.5 0 0.249697 ] [ 0 0.5 0.415354 ] [ 0.5 0 0.584646 ] [ 0 0.5 0.750303 ] [ 0 0.5 0.247159 ] [ 0.5 0 0.416057 ] [ 0 0.5 0.583943 ] [ 0.5 0 0.752841 ] [ 0 0.5 0.921885 ] [ 0.5 0 0.078115 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 2.9599584 "source-unit" "angstrom" } "c" { "source-value" 12.57712434 "source-unit" "angstrom" } }