{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.885086 0 0.637894 ] [ 0.999775 0.5 0.501592 ] [ 0.385086 0.5 0.637894 ] [ 0.499775 0 0.501592 ] [ 0.114863 0 0.361553 ] [ 0.248644 0.755843 0.008919 ] [ 0.248644 0.244157 0.008919 ] [ 0.501866 0 0.994966 ] [ 0.614863 0.5 0.361553 ] [ 0.748644 0.255843 0.008919 ] [ 0.748644 0.744157 0.008919 ] [ 0.001866 0.5 0.994966 ] [ 0.519189 0.77606 0.787205 ] [ 0.019189 0.72394 0.787205 ] [ 0.741984 0 0.21351 ] [ 0.253205 0 0.227543 ] [ 0.260655 0 0.77974 ] [ 0.482513 0.22496 0.215014 ] [ 0.982513 0.27504 0.215014 ] [ 0.019189 0.27606 0.787205 ] [ 0.519189 0.22394 0.787205 ] [ 0.241984 0.5 0.21351 ] [ 0.753205 0.5 0.227543 ] [ 0.760655 0.5 0.77974 ] [ 0.982513 0.72496 0.215014 ] [ 0.482513 0.77504 0.215014 ] [ 0.747807 0 0.760954 ] [ 0.247807 0.5 0.760954 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.12132709 "source-unit" "angstrom" } "b" { "source-value" 6.10508664 "source-unit" "angstrom" } "c" { "source-value" 5.97419907 "source-unit" "angstrom" } "beta" { "source-value" 125.4308725 "source-unit" "degree" } }