{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.697636 0.75 0.609367 ] [ 0.802364 0.75 0.109367 ] [ 0.197636 0.25 0.890633 ] [ 0.302364 0.25 0.390633 ] [ 0.945341 0.950228 0.822673 ] [ 0.554659 0.950228 0.322673 ] [ 0.390861 0.75 0.97137 ] [ 0.109139 0.75 0.47137 ] [ 0.945341 0.549772 0.822673 ] [ 0.554659 0.549772 0.322673 ] [ 0.445341 0.450228 0.677327 ] [ 0.054659 0.450228 0.177327 ] [ 0.890861 0.25 0.52863 ] [ 0.609139 0.25 0.02863 ] [ 0.445341 0.049772 0.677327 ] [ 0.054659 0.049772 0.177327 ] [ 0.813013 0.987211 0.61145 ] [ 0.686987 0.987211 0.11145 ] [ 0.684991 0.75 0.809424 ] [ 0.465647 0.75 0.486643 ] [ 0.815009 0.75 0.309424 ] [ 0.034353 0.75 0.986643 ] [ 0.122575 0.75 0.72001 ] [ 0.377425 0.75 0.22001 ] [ 0.813013 0.512789 0.61145 ] [ 0.686987 0.512789 0.11145 ] [ 0.313013 0.487211 0.88855 ] [ 0.186987 0.487211 0.38855 ] [ 0.622575 0.25 0.77999 ] [ 0.877425 0.25 0.27999 ] [ 0.965647 0.25 0.013357 ] [ 0.184991 0.25 0.690576 ] [ 0.534353 0.25 0.513357 ] [ 0.315009 0.25 0.190576 ] [ 0.313013 0.012789 0.88855 ] [ 0.186987 0.012789 0.38855 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "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" 6.44207327 "source-unit" "angstrom" } "b" { "source-value" 8.02631405 "source-unit" "angstrom" } "c" { "source-value" 10.16224943 "source-unit" "angstrom" } }