{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.637722 0.819239 0.123491 ] [ 0.111667 0.309597 0.286496 ] [ 0.637722 0.180761 0.623491 ] [ 0.111667 0.690403 0.786496 ] [ 0.763045 0.322427 0.989952 ] [ 0.252977 0.199334 0.672369 ] [ 0.763045 0.677573 0.489952 ] [ 0.252977 0.800666 0.172369 ] [ 0.711445 0.403054 0.485333 ] [ 0.927313 0.275441 0.109811 ] [ 0.13453 0.755383 0.005508 ] [ 0.428251 0.743389 0.163818 ] [ 0.711445 0.596946 0.985333 ] [ 0.196538 0.360454 0.795714 ] [ 0.249748 0.929572 0.725336 ] [ 0.787036 0.26774 0.820025 ] [ 0.428251 0.256611 0.663818 ] [ 0.787036 0.73226 0.320025 ] [ 0.927313 0.724559 0.609811 ] [ 0.63341 0.84879 0.53046 ] [ 0.63341 0.15121 0.03046 ] [ 0.196538 0.639546 0.295714 ] [ 0.249748 0.070428 0.225336 ] [ 0.13453 0.244617 0.505508 ] ] } "species" { "source-value" [ "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" 8.47293143461 "source-unit" "angstrom" } "b" { "source-value" 5.44114548 "source-unit" "angstrom" } "c" { "source-value" 8.63602084378 "source-unit" "angstrom" } "beta" { "source-value" 104.366984289 "source-unit" "degree" } }