{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.752202 0.917799 ] [ 0.75 0.247798 0.082201 ] [ 0.25 0.252202 0.582201 ] [ 0.75 0.747798 0.417799 ] [ 0.25 0.918482 0.256342 ] [ 0.75 0.081518 0.743658 ] [ 0.25 0.418482 0.243658 ] [ 0.75 0.581518 0.756342 ] [ 0.465556 0.414755 0.319381 ] [ 0.965556 0.585245 0.680619 ] [ 0.034444 0.914755 0.180619 ] [ 0.534444 0.085245 0.819381 ] [ 0.75 0.587443 0.907345 ] [ 0.25 0.412557 0.092655 ] [ 0.75 0.087443 0.592655 ] [ 0.25 0.912557 0.407345 ] [ 0.534444 0.585245 0.680619 ] [ 0.034444 0.414755 0.319381 ] [ 0.965556 0.085245 0.819381 ] [ 0.465556 0.914755 0.180619 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "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" 5.22603663 "source-unit" "angstrom" } "b" { "source-value" 6.28282466 "source-unit" "angstrom" } "c" { "source-value" 8.61872605 "source-unit" "angstrom" } }