{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.992206 0.758615 0.002584 ] [ 0.510025 0.5 0.830614 ] [ 0.492427 0.278853 0.494199 ] [ 0.007237 0 0.669316 ] [ 0.993331 0.5 0.337019 ] [ 0.992206 0.241385 0.002584 ] [ 0.492427 0.721147 0.494199 ] [ 0.493053 0 0.162814 ] [ 0.496903 0.147858 0.836899 ] [ 0.496903 0.852142 0.836899 ] [ 0.997568 0.639151 0.66671 ] [ 0.020246 0.14363 0.333837 ] [ 0.997568 0.360849 0.66671 ] [ 0.020246 0.85637 0.333837 ] [ 0.518548 0.640907 0.171661 ] [ 0.518548 0.359093 0.171661 ] [ 0.249444 0.2461 0.740441 ] [ 0.278806 0 0.88669 ] [ 0.485764 0.73373 0.002878 ] [ 0.714113 0 0.889998 ] [ 0.746834 0.754955 0.741874 ] [ 0.748187 0.228626 0.264189 ] [ 0.748187 0.771374 0.264189 ] [ 0.746834 0.245045 0.741874 ] [ 0.777247 0.5 0.595327 ] [ 0.003764 0.5 0.813292 ] [ 0.989056 0.753859 0.505479 ] [ 0.989056 0.246141 0.505479 ] [ 0.9941 0 0.193306 ] [ 0.2138 0.5 0.592674 ] [ 0.234623 0 0.416486 ] [ 0.249444 0.7539 0.740441 ] [ 0.24675 0.730089 0.237669 ] [ 0.24675 0.269911 0.237669 ] [ 0.497225 0.5 0.316149 ] [ 0.485764 0.26627 0.002878 ] [ 0.734971 0.5 0.094449 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "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" 5.79187789 "source-unit" "angstrom" } "b" { "source-value" 9.57537006 "source-unit" "angstrom" } "c" { "source-value" 10.07611885 "source-unit" "angstrom" } "beta" { "source-value" 90.35750778 "source-unit" "degree" } }