{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.195359 ] [ 0 0 0.019752 ] [ 0 0 0.695359 ] [ 0.5 0.5 0.519752 ] [ 0.5 0.5 0.841051 ] [ 0 0 0.341051 ] [ 0.5 0.5 0.93409 ] [ 0.5 0.743411 0.793579 ] [ 0 0.5 0.089422 ] [ 0.5 0 0.114496 ] [ 0.5 0.256589 0.793579 ] [ 0 0 0.43409 ] [ 0 0.243411 0.293579 ] [ 0.5 0 0.589422 ] [ 0 0.5 0.614496 ] [ 0 0.756589 0.293579 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "C" "C" "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" 3.59749581036 "source-unit" "angstrom" } "b" { "source-value" 4.5573424111 "source-unit" "angstrom" } "c" { "source-value" 13.8800536596 "source-unit" "angstrom" } }