{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.460851 0.639242 ] [ 0 0.539149 0.139242 ] [ 0 0.921868 0.427212 ] [ 0 0.078132 0.927212 ] [ 0.5 0.564999 0.393674 ] [ 0.5 0.435001 0.893674 ] [ 0.5 0.212959 0.562209 ] [ 0.5 0.787041 0.062209 ] [ 0 0.253146 0.234258 ] [ 0 0.746854 0.734258 ] [ 0.5 0.798697 0.528732 ] [ 0.5 0.201303 0.028732 ] [ 0.5 0.10714 0.363585 ] [ 0.5 0.89286 0.863585 ] [ 0.5 0.448698 0.192982 ] [ 0.5 0.551302 0.692982 ] [ 0 0.689022 0.28853 ] [ 0 0.310978 0.78853 ] [ 0 0.378074 0.459097 ] [ 0 0.621926 0.959097 ] [ 0 0.055806 0.62143 ] [ 0 0.944194 0.12143 ] ] } "species" { "source-value" [ "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04192186 "source-unit" "angstrom" } "b" { "source-value" 11.15923487 "source-unit" "angstrom" } "c" { "source-value" 11.80751273 "source-unit" "angstrom" } }