{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.761935 0.48815 0.251922 ] [ 0.238065 0.98815 0.248078 ] [ 0.238065 0.51185 0.748078 ] [ 0.761935 0.01185 0.751922 ] [ 0.279167 0.476964 0.233205 ] [ 0.720833 0.976964 0.266795 ] [ 0.720833 0.523036 0.766795 ] [ 0.279167 0.023036 0.733205 ] [ 0.626649 0.622537 0.869636 ] [ 0.373351 0.122537 0.630364 ] [ 0.626649 0.877463 0.369636 ] [ 0.373351 0.377463 0.130364 ] [ 0.873377 0.374492 0.621517 ] [ 0.126623 0.625508 0.378483 ] [ 0.126623 0.874492 0.878483 ] [ 0.873377 0.125508 0.121517 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "H" "H" "H" "H" "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" 5.375072407 "source-unit" "angstrom" } "b" { "source-value" 5.36554592003 "source-unit" "angstrom" } "c" { "source-value" 5.38276926266 "source-unit" "angstrom" } "beta" { "source-value" 113.183976689 "source-unit" "degree" } }