{ "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" [ [ 0.231499 0.75 0.087323 ] [ 0.747507 0.988108 0.271925 ] [ 0.747507 0.511892 0.271925 ] [ 0.252493 0.488108 0.728075 ] [ 0.252493 0.011892 0.728075 ] [ 0.768501 0.25 0.912677 ] [ 0.294373 0.75 0.430256 ] [ 0.705627 0.25 0.569744 ] [ 0.216255 0.25 0.344689 ] [ 0.783745 0.75 0.655311 ] [ 0.282598 0.25 0.061715 ] [ 0.717402 0.75 0.938285 ] [ 0.733857 0.75 0.080159 ] [ 0.070673 0.25 0.134698 ] [ 0.498463 0.25 0.134333 ] [ 0.231095 0.945826 0.316376 ] [ 0.231095 0.554174 0.316376 ] [ 0.608985 0.75 0.466123 ] [ 0.859822 0.25 0.420026 ] [ 0.140178 0.75 0.579974 ] [ 0.391015 0.25 0.533877 ] [ 0.768905 0.445826 0.683624 ] [ 0.768905 0.054174 0.683624 ] [ 0.501537 0.75 0.865667 ] [ 0.929327 0.75 0.865302 ] [ 0.266143 0.25 0.919841 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Ni" "Ni" "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" 5.22291751 "source-unit" "angstrom" } "b" { "source-value" 6.46071075 "source-unit" "angstrom" } "c" { "source-value" 9.07712957 "source-unit" "angstrom" } "beta" { "source-value" 92.13021097 "source-unit" "degree" } }