{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.743556 0.182674 0.397373 ] [ 0.255932 0.816884 0.602272 ] [ 0.741707 0.316742 0.897933 ] [ 0.255318 0.685542 0.102354 ] [ 0.249428 0.065186 0.118686 ] [ 0.754911 0.562518 0.383673 ] [ 0.246675 0.435278 0.618859 ] [ 0.754112 0.938893 0.877255 ] [ 0.274475 0.367059 0.163802 ] [ 0.72841 0.869695 0.340031 ] [ 0.271764 0.132674 0.662099 ] [ 0.726636 0.631473 0.832616 ] [ 0.2156 0.887691 0.012362 ] [ 0.264765 0.364454 0.021005 ] [ 0.244438 0.240758 0.241648 ] [ 0.309271 0.496731 0.237899 ] [ 0.69986 0.998166 0.265563 ] [ 0.758721 0.740688 0.265115 ] [ 0.734026 0.866587 0.482686 ] [ 0.776254 0.385979 0.487841 ] [ 0.226427 0.612392 0.514275 ] [ 0.265812 0.136338 0.519576 ] [ 0.243213 0.259212 0.74038 ] [ 0.300301 0.00196 0.734348 ] [ 0.696323 0.500575 0.761891 ] [ 0.755224 0.759374 0.757614 ] [ 0.733673 0.631472 0.975321 ] [ 0.773172 0.113005 0.985524 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "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" 3.24151536 "source-unit" "angstrom" } "b" { "source-value" 9.394383 "source-unit" "angstrom" } "c" { "source-value" 9.50006462 "source-unit" "angstrom" } "alpha" { "source-value" 89.99286244 "source-unit" "degree" } "beta" { "source-value" 94.1614025 "source-unit" "degree" } "gamma" { "source-value" 90.17948332 "source-unit" "degree" } }