{ "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" [ [ 0.25 0.70625 0.546649 ] [ 0.75 0.29375 0.453351 ] [ 0.25 0.79375 0.046649 ] [ 0.75 0.20625 0.953351 ] [ 0.75 0.981801 0.208471 ] [ 0.25 0.481801 0.291529 ] [ 0.25 0.018199 0.791529 ] [ 0.75 0.518199 0.708471 ] [ 0.25 0.39231 0.946047 ] [ 0.25 0.10769 0.446047 ] [ 0.75 0.89231 0.553953 ] [ 0.75 0.60769 0.053953 ] [ 0.75 0.298702 0.773225 ] [ 0.015787 0.972164 0.886513 ] [ 0.75 0.201298 0.273225 ] [ 0.984213 0.027836 0.113487 ] [ 0.984213 0.472164 0.613487 ] [ 0.515787 0.027836 0.113487 ] [ 0.484213 0.527836 0.386513 ] [ 0.484213 0.972164 0.886513 ] [ 0.25 0.701298 0.226775 ] [ 0.515787 0.472164 0.613487 ] [ 0.015787 0.527836 0.386513 ] [ 0.25 0.798702 0.726775 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 5.42971461 "source-unit" "angstrom" } "b" { "source-value" 6.95272371 "source-unit" "angstrom" } "c" { "source-value" 12.18242608 "source-unit" "angstrom" } }