{ "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" [ [ 0.698764 0.748811 0.983791 ] [ 0.698764 0.251189 0.983791 ] [ 0.28519 0.749932 0.301455 ] [ 0.28519 0.250068 0.301455 ] [ 0.0151 0.250477 0.713722 ] [ 0.0151 0.749523 0.713722 ] [ 0.988047 0 0.359919 ] [ 0.371511 0 0.012024 ] [ 0.993751 0.5 0.360558 ] [ 0.367395 0.5 0.00686 ] [ 0.641207 0 0.633866 ] [ 0.639802 0.5 0.632528 ] [ 0.999115 0 0.996964 ] [ 0.999762 0.5 0.000333 ] [ 0.334784 0.746494 0.667118 ] [ 0.334784 0.253506 0.667118 ] [ 0.665911 0.746538 0.334095 ] [ 0.665911 0.253462 0.334095 ] [ 0.806552 0.5 0.914306 ] [ 0.805173 0 0.915956 ] [ 0.441914 0.749838 0.580306 ] [ 0.441914 0.250162 0.580306 ] [ 0.111183 0 0.190106 ] [ 0.107355 0.5 0.194308 ] [ 0.42095 0.74587 0.860036 ] [ 0.42095 0.25413 0.860036 ] [ 0.141547 0.746538 0.560209 ] [ 0.141547 0.253462 0.560209 ] [ 0.779495 0.745919 0.254299 ] [ 0.779495 0.254081 0.254299 ] [ 0.07881 0 0.883705 ] [ 0.086495 0.5 0.89306 ] [ 0.74513 0.748954 0.527286 ] [ 0.74513 0.251046 0.527286 ] [ 0.473136 0.253435 0.220436 ] [ 0.473136 0.746565 0.220436 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.26038176 "source-unit" "angstrom" } "b" { "source-value" 6.28434299 "source-unit" "angstrom" } "c" { "source-value" 8.26080286 "source-unit" "angstrom" } "beta" { "source-value" 119.9449465 "source-unit" "degree" } }