{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0.101826 ] [ 0.5 0.5 0.199628 ] [ 0 0 0.300372 ] [ 0 0 0.898174 ] [ 0.5 0.5 0.601826 ] [ 0 0 0.699628 ] [ 0.5 0.5 0.800372 ] [ 0.5 0.5 0.398174 ] [ 0.5 0.5 0.099852 ] [ 0 0 0.200218 ] [ 0.5 0.5 0.299782 ] [ 0.5 0.5 0.900148 ] [ 0 0 0.599852 ] [ 0.5 0.5 0.700218 ] [ 0 0 0.799782 ] [ 0 0 0.400148 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 2.96474785 "source-unit" "angstrom" } "c" { "source-value" 21.16839366 "source-unit" "angstrom" } }