{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.835544 0.416264 0 ] [ 0.335544 0.083736 0.5 ] [ 0.583736 0.164456 0 ] [ 0.416264 0.835544 0 ] [ 0.916264 0.664456 0.5 ] [ 0.083736 0.335544 0.5 ] [ 0.164456 0.583736 0 ] [ 0.664456 0.916264 0.5 ] [ 0.719572 0.719572 0 ] [ 0.280428 0.280428 0 ] [ 0.780428 0.219572 0.5 ] [ 0.219572 0.780428 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.28011912 "source-unit" "angstrom" } "c" { "source-value" 3.78923328 "source-unit" "angstrom" } }