{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.252603 0.255074 0.096895 ] [ 0.747397 0.755074 0.903105 ] [ 0.185312 0.242832 0.487644 ] [ 0.707683 0.245717 0.676745 ] [ 0.814688 0.742832 0.512356 ] [ 0.292317 0.745717 0.323255 ] [ 0.223896 0.197865 0.806694 ] [ 0.322716 0.704081 0.654434 ] [ 0.776104 0.697865 0.193306 ] [ 0.677284 0.204081 0.345566 ] [ 0.400315 0.244534 0.322593 ] [ 0.750356 0.87194 0.318116 ] [ 0.777034 0.265455 0.474789 ] [ 0.460671 0.228872 0.88377 ] [ 0.990782 0.270833 0.875672 ] [ 0.819248 0.373797 0.242114 ] [ 0.009218 0.770833 0.124328 ] [ 0.599685 0.744534 0.677407 ] [ 0.222966 0.765455 0.525211 ] [ 0.180752 0.873797 0.757886 ] [ 0.249644 0.37194 0.681884 ] [ 0.539329 0.728872 0.11623 ] ] } "species" { "source-value" [ "Ba" "Ba" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "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" 5.77667150296 "source-unit" "angstrom" } "b" { "source-value" 4.82901985 "source-unit" "angstrom" } "c" { "source-value" 11.5599568426 "source-unit" "angstrom" } "beta" { "source-value" 91.4413942932 "source-unit" "degree" } }