{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.307378 0 ] [ 0.25 0.192622 0.5 ] [ 0.75 0.807378 0.5 ] [ 0.75 0.692622 0 ] [ 0.25 0.910129 0.172437 ] [ 0.25 0.589871 0.327563 ] [ 0.75 0.089871 0.172437 ] [ 0.75 0.410129 0.327563 ] [ 0.75 0.410129 0.672437 ] [ 0.75 0.089871 0.827563 ] [ 0.25 0.589871 0.672437 ] [ 0.25 0.910129 0.827563 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04614301973 "source-unit" "angstrom" } "b" { "source-value" 7.86591492078 "source-unit" "angstrom" } "c" { "source-value" 8.15114472282 "source-unit" "angstrom" } }