{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.249215 0.87715 ] [ 0 0.750785 0.87715 ] [ 0.249215 0 0.12285 ] [ 0.750785 0 0.12285 ] [ 0.5 0.751691 0.372386 ] [ 0.5 0.248309 0.372386 ] [ 0 0 0.5 ] [ 0.248309 0.5 0.627614 ] [ 0.751691 0.5 0.627614 ] [ 0.5 0 0.750969 ] [ 0.5 0.5 0 ] [ 0 0.5 0.249031 ] [ 0.7808 0.5 0.863911 ] [ 0.2192 0.5 0.863911 ] [ 0.220482 0 0.890872 ] [ 0.779518 0 0.890872 ] [ 0 0.779518 0.109128 ] [ 0 0.220482 0.109128 ] [ 0.5 0.7808 0.136089 ] [ 0.5 0.2192 0.136089 ] [ 0.26978 0 0.359224 ] [ 0.73022 0 0.359224 ] [ 0.270461 0.5 0.386677 ] [ 0.729539 0.5 0.386677 ] [ 0.5 0.729539 0.613323 ] [ 0.5 0.270461 0.613323 ] [ 0 0.26978 0.640776 ] [ 0 0.73022 0.640776 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Cu" "Cu" "Cu" "O" "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" 5.80995554 "source-unit" "angstrom" } "c" { "source-value" 8.20472702 "source-unit" "angstrom" } }