{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.758502 0.25 0.916886 ] [ 0.241498 0.75 0.083114 ] [ 0.247776 0.496665 0.739216 ] [ 0.752224 0.996665 0.260784 ] [ 0.752224 0.503335 0.260784 ] [ 0.247776 0.003335 0.739216 ] [ 0.778121 0.75 0.639004 ] [ 0.221879 0.25 0.360996 ] [ 0.705683 0.25 0.588129 ] [ 0.294317 0.75 0.411871 ] [ 0.2646 0.25 0.061127 ] [ 0.7354 0.75 0.938873 ] [ 0.828101 0.25 0.432169 ] [ 0.171899 0.75 0.567831 ] [ 0.213732 0.932548 0.320038 ] [ 0.786268 0.432548 0.679962 ] [ 0.786268 0.067452 0.679962 ] [ 0.213732 0.567452 0.320038 ] [ 0.710851 0.75 0.08124 ] [ 0.289149 0.25 0.91876 ] [ 0.591449 0.75 0.430805 ] [ 0.408551 0.25 0.569195 ] [ 0.039026 0.25 0.121372 ] [ 0.960974 0.75 0.878628 ] [ 0.466226 0.25 0.146418 ] [ 0.533774 0.75 0.853582 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "P" "P" "C" "C" "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" 5.23853956123 "source-unit" "angstrom" } "b" { "source-value" 6.84016486 "source-unit" "angstrom" } "c" { "source-value" 9.0576717449 "source-unit" "angstrom" } "beta" { "source-value" 90.1886648158 "source-unit" "degree" } }