{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.867328 0.486491 ] [ 0.5 0.003805 0.273038 ] [ 0.5 0.996195 0.726962 ] [ 0.5 0.632672 0.986491 ] [ 0.5 0.496195 0.773038 ] [ 0.5 0.503805 0.226962 ] [ 0.5 0.132672 0.513509 ] [ 0.5 0.367328 0.013509 ] [ 0 0.262186 0.81648 ] [ 0 0.737814 0.18352 ] [ 0 0.237814 0.31648 ] [ 0 0.885242 0.93524 ] [ 0 0.614758 0.43524 ] [ 0 0.385242 0.56476 ] [ 0 0.114758 0.06476 ] [ 0 0.762186 0.68352 ] [ 0 0.454608 0.323769 ] [ 0 0.425906 0.895605 ] [ 0 0.074094 0.395605 ] [ 0.5 0.353224 0.707526 ] [ 0.5 0.146776 0.207526 ] [ 0 0.574094 0.104395 ] [ 0.5 0.853224 0.792474 ] [ 0.5 0.274661 0.448137 ] [ 0 0.330374 0.114992 ] [ 0 0.669626 0.885008 ] [ 0.5 0.774661 0.051863 ] [ 0 0.545392 0.676231 ] [ 0.5 0.5 0.5 ] [ 0.5 0.725339 0.551863 ] [ 0.5 0.225339 0.948137 ] [ 0.5 0.646776 0.292474 ] [ 0 0.830374 0.385008 ] [ 0 0.045392 0.823769 ] [ 0 0.169626 0.614992 ] [ 0.5 0 0 ] [ 0 0.954608 0.176231 ] [ 0 0.925906 0.604395 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 3.95029671 "source-unit" "angstrom" } "b" { "source-value" 15.65856366 "source-unit" "angstrom" } "c" { "source-value" 15.86992236 "source-unit" "angstrom" } }