{ "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" [ [ 0.96389 0.5 0.276619 ] [ 0.067086 0 0.711138 ] [ 0.458668 0 0.223846 ] [ 0.574795 0.5 0.784683 ] [ 0.084275 0.5 0.601582 ] [ 0.389775 0.5 0.098922 ] [ 0.585791 0 0.895585 ] [ 0.93481 0 0.405415 ] [ 0.136271 0.5 0.446391 ] [ 0.227398 0.299937 0.668376 ] [ 0.227398 0.700063 0.668376 ] [ 0.238116 0 0.394731 ] [ 0.276988 0 0.872744 ] [ 0.234148 0.306424 0.170363 ] [ 0.234148 0.693576 0.170363 ] [ 0.3544 0.5 0.947478 ] [ 0.643696 0 0.044897 ] [ 0.727397 0.799669 0.824215 ] [ 0.727397 0.200331 0.824215 ] [ 0.690699 0.5 0.138686 ] [ 0.776343 0.5 0.619433 ] [ 0.801828 0.795152 0.329588 ] [ 0.801828 0.204848 0.329588 ] [ 0.842854 0 0.552765 ] ] } "species" { "source-value" [ "Ti" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 4.95968473 "source-unit" "angstrom" } "b" { "source-value" 6.04289108 "source-unit" "angstrom" } "c" { "source-value" 9.96035218 "source-unit" "angstrom" } "beta" { "source-value" 90.25496376 "source-unit" "degree" } }