{ "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 0.919926 0.809673 ] [ 0.75 0.419926 0.690327 ] [ 0.25 0.580074 0.309673 ] [ 0.75 0.080074 0.190327 ] [ 0.25 0.140929 0.483428 ] [ 0.75 0.859071 0.516572 ] [ 0.25 0.359071 0.983428 ] [ 0.75 0.640929 0.016572 ] [ 0.25 0.309426 0.136257 ] [ 0.75 0.690574 0.863743 ] [ 0.25 0.190574 0.636257 ] [ 0.75 0.809426 0.363743 ] [ 0.75 0.89626 0.626691 ] [ 0.25 0.10374 0.373309 ] [ 0.25 0.39626 0.873309 ] [ 0.75 0.60374 0.126691 ] [ 0.75 0.104015 0.902742 ] [ 0.75 0.395985 0.402742 ] [ 0.25 0.895985 0.097258 ] [ 0.25 0.604015 0.597258 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.32479994 "source-unit" "angstrom" } "b" { "source-value" 9.8238371 "source-unit" "angstrom" } "c" { "source-value" 10.26429131 "source-unit" "angstrom" } }