{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.358716 ] [ 0.5 0.5 0.430166 ] [ 0.5 0.5 0 ] [ 0 0 0.069834 ] [ 0.5 0.5 0.141284 ] [ 0.5 0.5 0.858716 ] [ 0 0 0.930166 ] [ 0 0 0.5 ] [ 0.5 0.5 0.569834 ] [ 0 0 0.641284 ] [ 0 0 0.21433 ] [ 0.5 0.5 0.28567 ] [ 0.5 0.5 0.71433 ] [ 0 0 0.78567 ] [ 0.5 0.5 0.212855 ] [ 0 0 0.287145 ] [ 0 0 0.712855 ] [ 0.5 0.5 0.787145 ] [ 0.5 0.5 0.360655 ] [ 0 0 0.429832 ] [ 0 0 0 ] [ 0.5 0.5 0.070168 ] [ 0 0 0.139345 ] [ 0 0 0.860655 ] [ 0.5 0.5 0.929832 ] [ 0.5 0.5 0.5 ] [ 0 0 0.570168 ] [ 0.5 0.5 0.639345 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 2.9300996 "source-unit" "angstrom" } "c" { "source-value" 28.9599994 "source-unit" "angstrom" } }