{ "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" [ [ 0.758688 0.5 0.908409 ] [ 0.246096 0.273742 0.726205 ] [ 0.246096 0.726258 0.726205 ] [ 0.753881 0.776743 0.27425 ] [ 0.753881 0.223257 0.27425 ] [ 0.239629 0 0.092672 ] [ 0.221267 0.5 0.340759 ] [ 0.793563 0 0.665056 ] [ 0.718696 0.5 0.58941 ] [ 0.278977 0 0.41275 ] [ 0.703963 0 0.963668 ] [ 0.295871 0.5 0.033059 ] [ 0.950403 0 0.926485 ] [ 0.355611 0.5 0.88617 ] [ 0.512091 0 0.849978 ] [ 0.827419 0.312976 0.689116 ] [ 0.827419 0.687024 0.689116 ] [ 0.175709 0 0.580334 ] [ 0.405226 0.5 0.576543 ] [ 0.592969 0 0.431679 ] [ 0.810906 0.5 0.419636 ] [ 0.173711 0.18428 0.310012 ] [ 0.173711 0.81572 0.310012 ] [ 0.49012 0.5 0.144626 ] [ 0.644179 0 0.109985 ] [ 0.049918 0.5 0.069616 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Co" "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" 4.9958374 "source-unit" "angstrom" } "b" { "source-value" 6.53169119 "source-unit" "angstrom" } "c" { "source-value" 8.48773087 "source-unit" "angstrom" } "beta" { "source-value" 94.44843712 "source-unit" "degree" } }