{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.99951 0.500582 0.484803 ] [ 0.00049 0.499418 0.984803 ] [ 0.49951 0.999418 0.984803 ] [ 0.50049 0.000582 0.484803 ] [ 0.998322 0.938831 0.206973 ] [ 0.501678 0.438831 0.206973 ] [ 0.498322 0.561169 0.706973 ] [ 0.001678 0.061169 0.706973 ] [ 0.802218 0.792935 0.565081 ] [ 0.116294 0.449127 0.742387 ] [ 0.883706 0.550873 0.242387 ] [ 0.159167 0.161888 0.471057 ] [ 0.659167 0.338112 0.971057 ] [ 0.340833 0.661888 0.471057 ] [ 0.840833 0.838112 0.971057 ] [ 0.616294 0.050873 0.242387 ] [ 0.197782 0.207065 0.065081 ] [ 0.697782 0.292935 0.565081 ] [ 0.383706 0.949127 0.742387 ] [ 0.302218 0.707065 0.065081 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Bi" "Bi" "Bi" "Bi" "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" 5.71046191 "source-unit" "angstrom" } "b" { "source-value" 6.05481919 "source-unit" "angstrom" } "c" { "source-value" 8.41845545 "source-unit" "angstrom" } }