{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.244532 0.75 ] [ 0.25 0.755468 0.25 ] [ 0.75 0.888479 0.933252 ] [ 0.75 0.464396 0.390211 ] [ 0.25 0.535604 0.890211 ] [ 0.25 0.535604 0.609789 ] [ 0.75 0.464396 0.109789 ] [ 0.75 0.153686 0.25 ] [ 0.75 0.888479 0.566748 ] [ 0.25 0.111521 0.066748 ] [ 0.25 0.111521 0.433252 ] [ 0.25 0.846314 0.75 ] [ 0.75 0.260619 0.55703 ] [ 0.25 0.153719 0.617617 ] [ 0.25 0.739381 0.44297 ] [ 0.75 0.846281 0.382383 ] [ 0.25 0.153719 0.882383 ] [ 0.75 0.260619 0.94297 ] [ 0.25 0.739381 0.05703 ] [ 0.25 0.410245 0.25 ] [ 0.75 0.846281 0.117617 ] [ 0.75 0.589755 0.75 ] [ 0.75 0.707307 0.669588 ] [ 0.75 0.707307 0.830412 ] [ 0.25 0.292693 0.169588 ] [ 0.25 0.292693 0.330412 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.23816406 "source-unit" "angstrom" } "b" { "source-value" 9.7354979 "source-unit" "angstrom" } "c" { "source-value" 19.06991299 "source-unit" "angstrom" } }