{ "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" [ [ 0.233866 0.488361 0.782025 ] [ 0.233866 0.011639 0.282025 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.766134 0.988361 0.717975 ] [ 0.766134 0.511639 0.217975 ] [ 0.260678 0.932566 0.600466 ] [ 0.260678 0.567434 0.100466 ] [ 0.739322 0.432566 0.899534 ] [ 0.739322 0.067434 0.399534 ] [ 0.07352 0.826654 0.680557 ] [ 0.07352 0.673346 0.180557 ] [ 0.250669 0.678052 0.964995 ] [ 0.250669 0.821948 0.464995 ] [ 0.277391 0.243501 0.605629 ] [ 0.277391 0.256499 0.105629 ] [ 0.464012 0.786238 0.660899 ] [ 0.464012 0.713762 0.160899 ] [ 0.535988 0.286238 0.839101 ] [ 0.535988 0.213762 0.339101 ] [ 0.722609 0.743501 0.894371 ] [ 0.722609 0.756499 0.394371 ] [ 0.749331 0.178052 0.535005 ] [ 0.749331 0.321948 0.035005 ] [ 0.92648 0.326654 0.819443 ] [ 0.92648 0.173346 0.319443 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "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" 6.25762029 "source-unit" "angstrom" } "b" { "source-value" 4.94660223 "source-unit" "angstrom" } "c" { "source-value" 10.73416308 "source-unit" "angstrom" } "beta" { "source-value" 90.79061007 "source-unit" "degree" } }