{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.182095 0.725389 0.243069 ] [ 0.182095 0.274611 0.743069 ] [ 0.5 0.5 0 ] [ 0.317905 0.225389 0.256931 ] [ 0 0 0.5 ] [ 0.317905 0.774611 0.756931 ] [ 0.682095 0.225389 0.243069 ] [ 0.682095 0.774611 0.743069 ] [ 0 0 0 ] [ 0.817905 0.725389 0.256931 ] [ 0.5 0.5 0.5 ] [ 0.817905 0.274611 0.756931 ] [ 0.203526 0.509308 0.064241 ] [ 0.703526 0.990692 0.564241 ] [ 0.796474 0.509308 0.435759 ] [ 0.296474 0.990692 0.935759 ] [ 0.703526 0.009308 0.064241 ] [ 0.203526 0.490692 0.564241 ] [ 0.296474 0.009308 0.435759 ] [ 0.796474 0.490692 0.935759 ] [ 0.630017 0.16351 0.723861 ] [ 0 0.21498 0.75 ] [ 0.130017 0.33649 0.223861 ] [ 0.369983 0.16351 0.776139 ] [ 0.869983 0.33649 0.276139 ] [ 0.5 0.28502 0.25 ] [ 0.130017 0.66351 0.723861 ] [ 0.5 0.71498 0.75 ] [ 0.630017 0.83649 0.223861 ] [ 0.869983 0.66351 0.776139 ] [ 0.369983 0.83649 0.276139 ] [ 0 0.78502 0.25 ] [ 0.033465 0.364039 0.477163 ] [ 0.625788 0.183823 0.435066 ] [ 0.740911 0.080123 0.757375 ] [ 0.658431 0.335265 0.732365 ] [ 0.374212 0.183823 0.064934 ] [ 0.874212 0.316177 0.564934 ] [ 0.759089 0.419877 0.242625 ] [ 0.841569 0.164735 0.267635 ] [ 0.125788 0.316177 0.935066 ] [ 0.327695 0.886999 0.109993 ] [ 0.433399 0.378374 0.27882 ] [ 0.259089 0.080123 0.742625 ] [ 0.341569 0.335265 0.767635 ] [ 0.033465 0.635961 0.977163 ] [ 0.466535 0.135961 0.522837 ] [ 0.827695 0.613001 0.609993 ] [ 0.672305 0.886999 0.390007 ] [ 0.933399 0.121626 0.77882 ] [ 0.466535 0.864039 0.022837 ] [ 0.158431 0.164735 0.232365 ] [ 0.240911 0.419877 0.257375 ] [ 0.066601 0.121626 0.72118 ] [ 0.172305 0.613001 0.890007 ] [ 0.566601 0.378374 0.22118 ] [ 0.533465 0.864039 0.477163 ] [ 0.125788 0.683823 0.435066 ] [ 0.240911 0.580123 0.757375 ] [ 0.158431 0.835265 0.732365 ] [ 0.874212 0.683823 0.064934 ] [ 0.374212 0.816177 0.564934 ] [ 0.259089 0.919877 0.242625 ] [ 0.341569 0.664735 0.267635 ] [ 0.625788 0.816177 0.935066 ] [ 0.827695 0.386999 0.109993 ] [ 0.933399 0.878374 0.27882 ] [ 0.759089 0.580123 0.742625 ] [ 0.841569 0.835265 0.767635 ] [ 0.533465 0.135961 0.977163 ] [ 0.966535 0.635961 0.522837 ] [ 0.327695 0.113001 0.609993 ] [ 0.172305 0.386999 0.390007 ] [ 0.433399 0.621626 0.77882 ] [ 0.966535 0.364039 0.022837 ] [ 0.658431 0.664735 0.232365 ] [ 0.740911 0.919877 0.257375 ] [ 0.566601 0.621626 0.72118 ] [ 0.672305 0.113001 0.890007 ] [ 0.066601 0.878374 0.22118 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 15.2412798371 "source-unit" "angstrom" } "b" { "source-value" 8.89301087056 "source-unit" "angstrom" } "c" { "source-value" 11.574770342 "source-unit" "angstrom" } "beta" { "source-value" 143.778775057 "source-unit" "degree" } }