{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.797788 0.864315 ] [ 0.25 0.202212 0.135685 ] [ 0.25 0.702212 0.364315 ] [ 0.75 0.297788 0.635685 ] [ 0.25 0.640927 0.048885 ] [ 0.75 0.359073 0.951115 ] [ 0.75 0.859073 0.548885 ] [ 0.25 0.140927 0.451115 ] [ 0.25 0.082119 0.780521 ] [ 0.75 0.917881 0.219479 ] [ 0.75 0.417881 0.280521 ] [ 0.25 0.582119 0.719479 ] [ 0.25 0.759141 0.872208 ] [ 0.75 0.240859 0.127792 ] [ 0.75 0.740859 0.372208 ] [ 0.25 0.259141 0.627792 ] [ 0.25 0.549943 0.321469 ] [ 0.75 0.450057 0.678531 ] [ 0.75 0.950057 0.821469 ] [ 0.25 0.049943 0.178531 ] [ 0.25 0.746764 0.520311 ] [ 0.75 0.253236 0.479689 ] [ 0.75 0.753236 0.020311 ] [ 0.25 0.246764 0.979689 ] [ 0.75 0.696903 0.736473 ] [ 0.25 0.303097 0.263527 ] [ 0.25 0.803097 0.236473 ] [ 0.75 0.196903 0.763527 ] [ 0.25 0.00365 0.600941 ] [ 0.75 0.99635 0.399059 ] [ 0.75 0.49635 0.100941 ] [ 0.25 0.50365 0.899059 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.97117624 "source-unit" "angstrom" } "b" { "source-value" 11.08617733 "source-unit" "angstrom" } "c" { "source-value" 11.19724865 "source-unit" "angstrom" } }