{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.485047 0.440482 0.751023 ] [ 0.014953 0.940482 0.748977 ] [ 0.985047 0.059518 0.251023 ] [ 0.514953 0.559518 0.248977 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.095816 0.471932 0.246522 ] [ 0.404184 0.971932 0.253478 ] [ 0.904184 0.528068 0.753478 ] [ 0.595816 0.028068 0.746522 ] [ 0.202993 0.19782 0.550196 ] [ 0.297007 0.69782 0.949804 ] [ 0.797007 0.80218 0.449804 ] [ 0.702993 0.30218 0.050196 ] [ 0.809818 0.791088 0.051879 ] [ 0.690182 0.291088 0.448121 ] [ 0.190182 0.208912 0.948121 ] [ 0.309818 0.708912 0.551879 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Zn" "Zn" "Ir" "Ir" "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" 5.59016236752 "source-unit" "angstrom" } "b" { "source-value" 5.8228537 "source-unit" "angstrom" } "c" { "source-value" 7.97055309638 "source-unit" "angstrom" } "beta" { "source-value" 90.0948801087 "source-unit" "degree" } }