{ "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" [ [ 0.996452 0.250801 0.002046 ] [ 0.996452 0.749199 0.002046 ] [ 0.500257 0.748387 0.498715 ] [ 0.500257 0.251613 0.498715 ] [ 0.969506 0.5 0.71805 ] [ 0.548658 0.5 0.215531 ] [ 0.449521 0 0.784541 ] [ 0.050794 0 0.284999 ] [ 0.915711 0 0.593742 ] [ 0.580106 0 0.094237 ] [ 0.41716 0.5 0.909099 ] [ 0.086186 0.5 0.403807 ] [ 0.806745 0 0.450483 ] [ 0.784805 0.198901 0.659561 ] [ 0.784805 0.801099 0.659561 ] [ 0.761347 0.5 0.398321 ] [ 0.7396 0.5 0.906295 ] [ 0.713245 0.197613 0.160686 ] [ 0.713245 0.802387 0.160686 ] [ 0.688945 0 0.951815 ] [ 0.299586 0.5 0.049627 ] [ 0.282982 0.695395 0.838887 ] [ 0.282982 0.304605 0.838887 ] [ 0.255783 0 0.100967 ] [ 0.240024 0 0.602248 ] [ 0.213796 0.697543 0.335953 ] [ 0.213796 0.302457 0.335953 ] [ 0.207255 0.5 0.544543 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Cr" "Cr" "Cr" "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" 4.77923627 "source-unit" "angstrom" } "b" { "source-value" 6.31625327 "source-unit" "angstrom" } "c" { "source-value" 10.32667475 "source-unit" "angstrom" } "beta" { "source-value" 90.64913231 "source-unit" "degree" } }