{ "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 0.201586 0.543527 ] [ 0 0.798414 0.043527 ] [ 0 0.798414 0.456473 ] [ 0 0.201586 0.956473 ] [ 0.5 0.701586 0.543527 ] [ 0.5 0.298414 0.043527 ] [ 0.5 0.298414 0.456473 ] [ 0.5 0.701586 0.956473 ] [ 0.5 0.977112 0.75 ] [ 0.5 0.022888 0.25 ] [ 0 0.477112 0.75 ] [ 0 0.522888 0.25 ] [ 0 0 0 ] [ 0 0.22389 0.75 ] [ 0 0 0.5 ] [ 0 0.77611 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.72389 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.27611 0.25 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "Pb" "Pb" "Pb" "Pb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.29981239 "source-unit" "angstrom" } "b" { "source-value" 11.56569266 "source-unit" "angstrom" } "c" { "source-value" 11.38190942 "source-unit" "angstrom" } }