{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.483373 ] [ 0 0.5 0.483373 ] [ 0 0 0.451865 ] [ 0.75 0.25 0.978534 ] [ 0.75 0.75 0.978534 ] [ 0.5 0.5 0.451865 ] [ 0.25 0.75 0.978534 ] [ 0.25 0.25 0.978534 ] [ 0 0.313454 0.29054 ] [ 0.809321 0.5 0.672772 ] [ 0.690679 0 0.672772 ] [ 0.5 0.186546 0.29054 ] [ 0 0 0.030988 ] [ 0.5 0.813454 0.29054 ] [ 0.309321 0 0.672772 ] [ 0.190679 0.5 0.672772 ] [ 0 0.686546 0.29054 ] [ 0.5 0.5 0.030988 ] ] } "species" { "source-value" [ "Ge" "Ge" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "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" 7.5771721751 "source-unit" "angstrom" } "b" { "source-value" 7.6892257186 "source-unit" "angstrom" } "c" { "source-value" 5.50092838 "source-unit" "angstrom" } }