{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.23416 0.25 ] [ 0 0.76584 0.75 ] [ 0.5 0.73416 0.25 ] [ 0.5 0.26584 0.75 ] [ 0.5 0.847416 0.531256 ] [ 0.5 0.152584 0.031256 ] [ 0.5 0.847416 0.968744 ] [ 0 0.101646 0.75 ] [ 0.5 0.152584 0.468744 ] [ 0 0.898354 0.25 ] [ 0 0.347416 0.531256 ] [ 0 0.652584 0.031256 ] [ 0 0.347416 0.968744 ] [ 0.5 0.601646 0.75 ] [ 0 0.652584 0.468744 ] [ 0.5 0.398354 0.25 ] [ 0.5 0.977972 0.25 ] [ 0 0 0.5 ] [ 0.5 0.022028 0.75 ] [ 0 0 0 ] [ 0 0.477972 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0.522028 0.75 ] [ 0.5 0.5 0 ] [ 0.26648 0.770552 0.369409 ] [ 0.26648 0.229448 0.630591 ] [ 0.73352 0.229448 0.869409 ] [ 0.73352 0.229448 0.630591 ] [ 0 0.89485 0.75 ] [ 0.26648 0.229448 0.869409 ] [ 0.26648 0.770552 0.130591 ] [ 0.73352 0.770552 0.369409 ] [ 0 0.10515 0.25 ] [ 0.73352 0.770552 0.130591 ] [ 0.76648 0.270552 0.369409 ] [ 0.76648 0.729448 0.630591 ] [ 0.23352 0.729448 0.869409 ] [ 0.23352 0.729448 0.630591 ] [ 0.5 0.39485 0.75 ] [ 0.76648 0.729448 0.869409 ] [ 0.76648 0.270552 0.130591 ] [ 0.23352 0.270552 0.369409 ] [ 0.5 0.60515 0.25 ] [ 0.23352 0.270552 0.130591 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.68677636 "source-unit" "angstrom" } "b" { "source-value" 13.36128388 "source-unit" "angstrom" } "c" { "source-value" 11.21520221 "source-unit" "angstrom" } }