{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.784504 0.784504 0.5 ] [ 0.215496 0.784504 0.5 ] [ 0.5 0 0.428448 ] [ 0.5 0 0.928448 ] [ 0.784504 0.215496 0.5 ] [ 0.215496 0.215496 0.5 ] [ 0.284504 0.284504 0 ] [ 0.715496 0.284504 0 ] [ 0 0.5 0.071552 ] [ 0 0.5 0.571552 ] [ 0.284504 0.715496 0 ] [ 0.715496 0.715496 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.770999 0.691767 ] [ 0.270999 0 0.191767 ] [ 0.729001 0 0.191767 ] [ 0.5 0.229001 0.691767 ] [ 0 0.270999 0.808233 ] [ 0.229001 0.5 0.308233 ] [ 0.770999 0.5 0.308233 ] [ 0 0.729001 0.808233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 6.78745874 "source-unit" "angstrom" } "c" { "source-value" 4.60036698 "source-unit" "angstrom" } }