{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.25784 0.258544 0.731127 ] [ 0.25784 0.741456 0.731127 ] [ 0.740163 0.243912 0.271337 ] [ 0.740163 0.756088 0.271337 ] [ 0.223932 0 0.082759 ] [ 0.768408 0.5 0.899031 ] [ 0.774819 0 0.656429 ] [ 0.216253 0.5 0.345603 ] [ 0.719237 0.5 0.590693 ] [ 0.280171 0 0.416123 ] [ 0.706348 0 0.942394 ] [ 0.295615 0.5 0.051052 ] [ 0.377241 0.5 0.915001 ] [ 0.931003 0 0.882916 ] [ 0.503265 0 0.850448 ] [ 0.794508 0.316983 0.693022 ] [ 0.794508 0.683017 0.693022 ] [ 0.146006 0 0.567815 ] [ 0.422973 0.5 0.555406 ] [ 0.580117 0 0.448591 ] [ 0.859154 0.5 0.439281 ] [ 0.204132 0.814481 0.316542 ] [ 0.204132 0.185519 0.316542 ] [ 0.464351 0.5 0.166854 ] [ 0.051373 0.5 0.077547 ] [ 0.686449 0 0.088001 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "Co" "Co" "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" 5.19319178 "source-unit" "angstrom" } "b" { "source-value" 6.72578705 "source-unit" "angstrom" } "c" { "source-value" 8.80502275 "source-unit" "angstrom" } "beta" { "source-value" 92.77756463 "source-unit" "degree" } }