{ "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" [ [ 0.004244 0.252239 0.995222 ] [ 0.004244 0.747761 0.995222 ] [ 0.495087 0.745074 0.502972 ] [ 0.495087 0.254926 0.502972 ] [ 0.031404 0 0.72517 ] [ 0.473148 0 0.208463 ] [ 0.535661 0.5 0.786756 ] [ 0.913164 0.5 0.289695 ] [ 0.084771 0.5 0.604438 ] [ 0.41441 0.5 0.079554 ] [ 0.594679 0 0.906574 ] [ 0.915328 0 0.416477 ] [ 0.194448 0.5 0.46817 ] [ 0.219364 0.303948 0.669012 ] [ 0.219364 0.696052 0.669012 ] [ 0.234029 0 0.406255 ] [ 0.273433 0 0.901122 ] [ 0.304803 0.296412 0.143145 ] [ 0.304803 0.703588 0.143145 ] [ 0.279778 0.5 0.946039 ] [ 0.720633 0 0.041776 ] [ 0.722006 0.805614 0.838633 ] [ 0.722006 0.194386 0.838633 ] [ 0.738431 0.5 0.074714 ] [ 0.763297 0.5 0.605263 ] [ 0.768807 0.814068 0.345829 ] [ 0.768807 0.185932 0.345829 ] [ 0.80476 0 0.549911 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Sb" "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" 4.7994392 "source-unit" "angstrom" } "b" { "source-value" 6.40108305 "source-unit" "angstrom" } "c" { "source-value" 10.7763571 "source-unit" "angstrom" } "beta" { "source-value" 91.44388154 "source-unit" "degree" } }