{ "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 0.354442 0.916273 ] [ 0.25 0.645558 0.083727 ] [ 0.75 0.854442 0.583727 ] [ 0.25 0.145558 0.416273 ] [ 0.25 0.019034 0.829644 ] [ 0.75 0.980966 0.170356 ] [ 0.25 0.519034 0.670356 ] [ 0.75 0.480966 0.329644 ] [ 0.25 0.748855 0.399858 ] [ 0.75 0.251145 0.600142 ] [ 0.25 0.248855 0.100142 ] [ 0.75 0.751145 0.899858 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.47582376 "source-unit" "angstrom" } "b" { "source-value" 8.565706 "source-unit" "angstrom" } "c" { "source-value" 10.24602186 "source-unit" "angstrom" } }