{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.676771 0.176771 0 ] [ 0.323229 0.823229 0 ] [ 0.176771 0.323229 0 ] [ 0.823229 0.676771 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.873104 0.373104 0 ] [ 0.126896 0.626896 0 ] [ 0.373104 0.126896 0 ] [ 0.626896 0.873104 0 ] [ 0.78437 0.929458 0.5 ] [ 0.21563 0.070542 0.5 ] [ 0.28437 0.570542 0.5 ] [ 0.71563 0.429458 0.5 ] [ 0.570542 0.71563 0.5 ] [ 0.429458 0.28437 0.5 ] [ 0.929458 0.21563 0.5 ] [ 0.070542 0.78437 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Zn" "Zn" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.49068681 "source-unit" "angstrom" } "c" { "source-value" 2.94724483 "source-unit" "angstrom" } }