{ "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" [ [ 0.292364 0.5 0.008551 ] [ 0.338951 0.5 0.641435 ] [ 0.364776 0.5 0.349715 ] [ 0.793586 0.5 0.508355 ] [ 0.84246 0.5 0.143022 ] [ 0.86769 0.5 0.848816 ] [ 0.633 0 0.99417 ] [ 0.673823 0 0.685389 ] [ 0.69185 0 0.32024 ] [ 0.137666 0 0.49597 ] [ 0.176019 0 0.184014 ] [ 0.18721 0 0.820328 ] [ 0.002727 0.5 0.333905 ] [ 0.001226 0 0.000822 ] [ 0.002078 0.5 0.666741 ] [ 0.497473 0.5 0.832743 ] [ 0.498897 0 0.499131 ] [ 0.497984 0.5 0.166719 ] [ 0.013714 0.5 0.569613 ] [ 0.0193 0.5 0.236935 ] [ 0.138341 0.5 0.391482 ] [ 0.141191 0.5 0.721571 ] [ 0.153722 0 0.042198 ] [ 0.344549 0.5 0.873541 ] [ 0.347113 0.5 0.210013 ] [ 0.361321 0 0.555814 ] [ 0.48151 0 0.402516 ] [ 0.50829 0.5 0.069774 ] [ 0.512902 0.5 0.735799 ] [ 0.636498 0.5 0.888165 ] [ 0.638638 0.5 0.219789 ] [ 0.652735 0 0.539198 ] [ 0.848812 0.5 0.374002 ] [ 0.850985 0.5 0.709251 ] [ 0.863249 0 0.056675 ] [ 0.987348 0 0.903598 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "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" 8.25987388 "source-unit" "angstrom" } "b" { "source-value" 3.16164602 "source-unit" "angstrom" } "c" { "source-value" 14.30769804 "source-unit" "angstrom" } "beta" { "source-value" 90.02209803 "source-unit" "degree" } }