{ "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" [ [ 0.060333 0 0.718489 ] [ 0.468092 0 0.226792 ] [ 0.536609 0.5 0.776211 ] [ 0.968336 0.5 0.272682 ] [ 0.080643 0.5 0.596789 ] [ 0.414849 0.5 0.097284 ] [ 0.581001 0 0.900317 ] [ 0.921297 0 0.403586 ] [ 0.148387 0.5 0.447044 ] [ 0.230103 0.300969 0.671499 ] [ 0.230103 0.699031 0.671499 ] [ 0.22925 0 0.382566 ] [ 0.267371 0 0.880739 ] [ 0.27195 0.298721 0.172629 ] [ 0.27195 0.701279 0.172629 ] [ 0.343705 0.5 0.947122 ] [ 0.640133 0 0.052098 ] [ 0.718617 0.795925 0.828757 ] [ 0.718617 0.204075 0.828757 ] [ 0.723355 0.5 0.119641 ] [ 0.773711 0.5 0.619428 ] [ 0.774812 0.799035 0.329484 ] [ 0.774812 0.200965 0.329484 ] [ 0.851967 0 0.55447 ] ] } "species" { "source-value" [ "Mn" "Fe" "Fe" "Fe" "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" 4.900493 "source-unit" "angstrom" } "b" { "source-value" 5.96167063 "source-unit" "angstrom" } "c" { "source-value" 9.91954828 "source-unit" "angstrom" } "beta" { "source-value" 90.42447856 "source-unit" "degree" } }