{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.4007 0.5 0.700551 ] [ 0.5993 0.5 0.299449 ] [ 0 0.5 0.5 ] [ 0.199173 0.5 0.099694 ] [ 0.800827 0.5 0.900306 ] [ 0.300452 0 0.399851 ] [ 0.100768 0 0.798472 ] [ 0.5 0 0 ] [ 0.699548 0 0.600149 ] [ 0.899232 0 0.201528 ] [ 0.097781 0.5 0.804147 ] [ 0.300032 0.5 0.399734 ] [ 0.5 0.5 0 ] [ 0.902219 0.5 0.195853 ] [ 0.699968 0.5 0.600266 ] [ 0.099895 0 0.296857 ] [ 0.199568 0 0.597695 ] [ 0.297495 0 0.90208 ] [ 0.596331 0 0.799107 ] [ 0.403669 0 0.200893 ] [ 0.5 0 0.5 ] [ 0.702505 0 0.09792 ] [ 0.900105 0 0.703143 ] [ 0.800432 0 0.402305 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "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" 9.29845629 "source-unit" "angstrom" } "b" { "source-value" 4.14074273 "source-unit" "angstrom" } "c" { "source-value" 9.31474883 "source-unit" "angstrom" } "beta" { "source-value" 90.13340288 "source-unit" "degree" } }