{ "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" [ [ 0.235343 0.75 0.089899 ] [ 0.747833 0.991095 0.266996 ] [ 0.747833 0.508905 0.266996 ] [ 0.252167 0.491095 0.733004 ] [ 0.252167 0.008905 0.733004 ] [ 0.764657 0.25 0.910101 ] [ 0.210643 0.25 0.349111 ] [ 0.789357 0.75 0.650889 ] [ 0.292891 0.75 0.423559 ] [ 0.707109 0.25 0.576441 ] [ 0.271778 0.25 0.059767 ] [ 0.728222 0.75 0.940233 ] [ 0.71526 0.75 0.081368 ] [ 0.047697 0.25 0.122969 ] [ 0.480105 0.25 0.141482 ] [ 0.220098 0.945603 0.31531 ] [ 0.220098 0.554397 0.31531 ] [ 0.609748 0.75 0.458277 ] [ 0.850557 0.25 0.417998 ] [ 0.149443 0.75 0.582002 ] [ 0.390252 0.25 0.541723 ] [ 0.779902 0.445603 0.68469 ] [ 0.779902 0.054397 0.68469 ] [ 0.519895 0.75 0.858518 ] [ 0.952303 0.75 0.877031 ] [ 0.28474 0.25 0.918632 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "Si" "Si" "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" 5.15325323 "source-unit" "angstrom" } "b" { "source-value" 6.5458838 "source-unit" "angstrom" } "c" { "source-value" 9.10060461 "source-unit" "angstrom" } "beta" { "source-value" 91.01211665 "source-unit" "degree" } }