{ "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 ] [ 0.5 0 0.742501 ] [ 0 0.5 0.742501 ] [ 0.5 0 0.257499 ] [ 0 0.5 0.257499 ] [ 0 0.5 0 ] [ 0.244127 0.244127 0.227455 ] [ 0.755873 0.755873 0.227455 ] [ 0.755873 0.755873 0.772545 ] [ 0.244127 0.244127 0.772545 ] [ 0.5 0 0 ] [ 0.755873 0.244127 0.227455 ] [ 0.244127 0.755873 0.227455 ] [ 0.244127 0.755873 0.772545 ] [ 0.755873 0.244127 0.772545 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "La" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "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" 5.62305311 "source-unit" "angstrom" } "c" { "source-value" 8.03086879 "source-unit" "angstrom" } }