{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4" } "basis-atom-coordinates" { "source-value" [ [ 0.190074 0.175763 0.437037 ] [ 0.824237 0.190074 0.437037 ] [ 0.175763 0.809926 0.437037 ] [ 0.809926 0.824237 0.437037 ] [ 0.6405 0.140122 0.901259 ] [ 0.140122 0.3595 0.901259 ] [ 0.5 0.5 0.865393 ] [ 0.859878 0.6405 0.901259 ] [ 0.3595 0.859878 0.901259 ] [ 0 0 0.803607 ] [ 0 0 0.270419 ] [ 0.5 0 0.844396 ] [ 0.801563 0.087085 0.745759 ] [ 0.674449 0.154639 0.19855 ] [ 0.087085 0.198437 0.745759 ] [ 0.58487 0.312753 0.778021 ] [ 0.154639 0.325551 0.19855 ] [ 0.312753 0.41513 0.778021 ] [ 0 0.5 0.844396 ] [ 0.5 0.5 0.158352 ] [ 0.687247 0.58487 0.778021 ] [ 0.845361 0.674449 0.19855 ] [ 0.41513 0.687247 0.778021 ] [ 0.912915 0.801563 0.745759 ] [ 0.325551 0.845361 0.19855 ] [ 0.198437 0.912915 0.745759 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "Cu" "Cl" "O" "O" "O" "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" 8.96325136 "source-unit" "angstrom" } "c" { "source-value" 5.50150258 "source-unit" "angstrom" } }