{ "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 0 0 ] [ 0 0.5 0 ] [ 0.473902 0.75 0.21575 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.526098 0.25 0.78425 ] [ 0.973174 0.25 0.281356 ] [ 0.026826 0.75 0.718644 ] [ 0.40803 0.25 0.100429 ] [ 0.932389 0.75 0.408067 ] [ 0.067611 0.25 0.591933 ] [ 0.59197 0.75 0.899571 ] [ 0.693148 0.75 0.045877 ] [ 0.741457 0.25 0.113155 ] [ 0.275171 0.046277 0.171322 ] [ 0.275171 0.453723 0.171322 ] [ 0.793416 0.543639 0.339101 ] [ 0.793416 0.956361 0.339101 ] [ 0.25281 0.75 0.41481 ] [ 0.197997 0.25 0.446903 ] [ 0.802003 0.75 0.553097 ] [ 0.74719 0.25 0.58519 ] [ 0.206584 0.043639 0.660899 ] [ 0.206584 0.456361 0.660899 ] [ 0.724829 0.546277 0.828678 ] [ 0.724829 0.953723 0.828678 ] [ 0.258543 0.75 0.886845 ] [ 0.306852 0.25 0.954123 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "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" 4.73276887 "source-unit" "angstrom" } "b" { "source-value" 6.02635375 "source-unit" "angstrom" } "c" { "source-value" 10.0487627 "source-unit" "angstrom" } "beta" { "source-value" 92.01011811 "source-unit" "degree" } }