{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.145251 0.337398 0.254049 ] [ 0.854749 0.337398 0.754049 ] [ 0.854749 0.662602 0.754049 ] [ 0.145251 0.662602 0.254049 ] [ 0.645251 0.837398 0.254049 ] [ 0.354749 0.837398 0.754049 ] [ 0.354749 0.162602 0.754049 ] [ 0.645251 0.162602 0.254049 ] [ 0.91216 0 0.734803 ] [ 0.08784 0 0.234803 ] [ 0.41216 0.5 0.734803 ] [ 0.58784 0.5 0.234803 ] [ 0.651856 0 0.690379 ] [ 0.348144 0 0.190379 ] [ 0.985212 0.876144 0.991861 ] [ 0.014788 0.123856 0.491861 ] [ 0.985212 0.123856 0.991861 ] [ 0.014788 0.876144 0.491861 ] [ 0.151856 0.5 0.690379 ] [ 0.848144 0.5 0.190379 ] [ 0.485212 0.376144 0.991861 ] [ 0.514788 0.623856 0.491861 ] [ 0.485212 0.623856 0.991861 ] [ 0.514788 0.376144 0.491861 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Pb" "Pb" "Pb" "Pb" "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" 7.9019553347 "source-unit" "angstrom" } "b" { "source-value" 11.6060715363 "source-unit" "angstrom" } "c" { "source-value" 6.21160182 "source-unit" "angstrom" } }