{ "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" [ [ 0.707071 0.5 0.990858 ] [ 0.660667 0.5 0.358884 ] [ 0.634353 0.5 0.650671 ] [ 0.207074 0.5 0.492386 ] [ 0.159085 0.5 0.857208 ] [ 0.132991 0.5 0.15084 ] [ 0.826457 0 0.813974 ] [ 0.808986 0 0.179563 ] [ 0.364912 0 0.005535 ] [ 0.325647 0 0.313934 ] [ 0.863287 0 0.504346 ] [ 0.312257 0 0.679476 ] [ 0.001639 0.5 0.665566 ] [ 0.999934 0 0.999932 ] [ 0.998977 0.5 0.334506 ] [ 0.500114 0.5 0.16686 ] [ 0.499548 0 0.501059 ] [ 0.498934 0.5 0.832269 ] [ 0.987801 0.5 0.43151 ] [ 0.98491 0.5 0.762585 ] [ 0.864346 0.5 0.608655 ] [ 0.859501 0.5 0.280317 ] [ 0.845192 0 0.960951 ] [ 0.652041 0.5 0.125125 ] [ 0.649699 0.5 0.789757 ] [ 0.638473 0 0.445517 ] [ 0.514323 0 0.598085 ] [ 0.488218 0.5 0.929207 ] [ 0.486685 0.5 0.263936 ] [ 0.361388 0.5 0.111581 ] [ 0.359013 0.5 0.778001 ] [ 0.34692 0 0.460097 ] [ 0.155686 0.5 0.626494 ] [ 0.149454 0.5 0.291361 ] [ 0.135446 0 0.942089 ] [ 0.018977 0 0.09687 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 8.26508165 "source-unit" "angstrom" } "b" { "source-value" 3.17373645 "source-unit" "angstrom" } "c" { "source-value" 14.3086681 "source-unit" "angstrom" } "beta" { "source-value" 90.12389117 "source-unit" "degree" } }