{ "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" [ [ 0.76903 0.499951 0.225693 ] [ 0.76903 0.000049 0.225693 ] [ 0.23097 0.500049 0.774307 ] [ 0.23097 0.999951 0.774307 ] [ 0.221652 0.25 0.349896 ] [ 0.778348 0.75 0.650104 ] [ 0.29258 0.75 0.426826 ] [ 0.70742 0.25 0.573174 ] [ 0.280406 0.25 0.074346 ] [ 0.719594 0.75 0.925654 ] [ 0.726493 0.75 0.063019 ] [ 0.070545 0.25 0.147606 ] [ 0.479359 0.25 0.158682 ] [ 0.208707 0.951304 0.323741 ] [ 0.208707 0.548696 0.323741 ] [ 0.83748 0.25 0.405786 ] [ 0.616699 0.75 0.45369 ] [ 0.383301 0.25 0.54631 ] [ 0.16252 0.75 0.594214 ] [ 0.791293 0.451304 0.676259 ] [ 0.791293 0.048696 0.676259 ] [ 0.520641 0.75 0.841318 ] [ 0.929455 0.75 0.852394 ] [ 0.273507 0.25 0.936981 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "As" "As" "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" 5.39254881 "source-unit" "angstrom" } "b" { "source-value" 6.7948826 "source-unit" "angstrom" } "c" { "source-value" 9.14074724 "source-unit" "angstrom" } "beta" { "source-value" 92.18539823 "source-unit" "degree" } }