{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.358363 0.683508 ] [ 0.75 0.641637 0.316492 ] [ 0.75 0.858363 0.816492 ] [ 0.25 0.141637 0.183508 ] [ 0.75 0.351179 0.965108 ] [ 0.25 0.648821 0.034892 ] [ 0.25 0.851179 0.534892 ] [ 0.75 0.148821 0.465108 ] [ 0.030345 0.784173 0.062278 ] [ 0.530345 0.215827 0.937722 ] [ 0.969655 0.284173 0.437722 ] [ 0.469655 0.715827 0.562278 ] [ 0.969655 0.215827 0.937722 ] [ 0.469655 0.784173 0.062278 ] [ 0.030345 0.715827 0.562278 ] [ 0.530345 0.284173 0.437722 ] [ 0.75 0.016004 0.312227 ] [ 0.25 0.983996 0.687773 ] [ 0.25 0.516004 0.187773 ] [ 0.75 0.483996 0.812227 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "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" 5.57030164 "source-unit" "angstrom" } "b" { "source-value" 6.9071016 "source-unit" "angstrom" } "c" { "source-value" 8.05401781 "source-unit" "angstrom" } }