{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.761899 0.505487 0.230761 ] [ 0.761899 0.994513 0.230761 ] [ 0.238101 0.494513 0.769239 ] [ 0.238101 0.005487 0.769239 ] [ 0.212555 0.25 0.349013 ] [ 0.787445 0.75 0.650987 ] [ 0.290517 0.75 0.423833 ] [ 0.709483 0.25 0.576167 ] [ 0.271343 0.25 0.076638 ] [ 0.728657 0.75 0.923362 ] [ 0.694352 0.75 0.060086 ] [ 0.047698 0.25 0.13927 ] [ 0.461435 0.25 0.175052 ] [ 0.209453 0.941411 0.334435 ] [ 0.209453 0.558589 0.334435 ] [ 0.848384 0.25 0.424532 ] [ 0.582965 0.75 0.448699 ] [ 0.417035 0.25 0.551301 ] [ 0.151616 0.75 0.575468 ] [ 0.790547 0.441411 0.665565 ] [ 0.790547 0.058589 0.665565 ] [ 0.538565 0.75 0.824948 ] [ 0.952302 0.75 0.86073 ] [ 0.305648 0.25 0.939914 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "P" "P" "C" "C" "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" 5.26868416 "source-unit" "angstrom" } "b" { "source-value" 6.55163441 "source-unit" "angstrom" } "c" { "source-value" 9.06504746 "source-unit" "angstrom" } "beta" { "source-value" 90.44114185 "source-unit" "degree" } }