{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.743057 0.193605 ] [ 0.25 0.256943 0.806395 ] [ 0.75 0.243057 0.306395 ] [ 0.25 0.756943 0.693605 ] [ 0.25 0.061563 0.547699 ] [ 0.75 0.938437 0.452301 ] [ 0.75 0.438437 0.047699 ] [ 0.25 0.561563 0.952301 ] [ 0.75 0.940163 0.914859 ] [ 0.25 0.059837 0.085141 ] [ 0.75 0.440163 0.585141 ] [ 0.25 0.559837 0.414859 ] [ 0.25 0.817564 0.981712 ] [ 0.75 0.182436 0.018288 ] [ 0.75 0.682436 0.481712 ] [ 0.25 0.317564 0.518288 ] [ 0.75 0.522166 0.813006 ] [ 0.25 0.477834 0.186994 ] [ 0.75 0.022166 0.686994 ] [ 0.25 0.977834 0.313006 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.6800234 "source-unit" "angstrom" } "b" { "source-value" 11.10845374 "source-unit" "angstrom" } "c" { "source-value" 11.9328741 "source-unit" "angstrom" } }