{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.203845 0.043707 0.863164 ] [ 0.235398 0.490956 0.85775 ] [ 0.817595 0.763584 0.868895 ] [ 0.782055 0.971143 0.632661 ] [ 0.771748 0.531967 0.649901 ] [ 0.174922 0.225646 0.630824 ] [ 0.817595 0.236416 0.368895 ] [ 0.203845 0.956293 0.363164 ] [ 0.235398 0.509044 0.35775 ] [ 0.174922 0.774354 0.130824 ] [ 0.782055 0.028857 0.132661 ] [ 0.771748 0.468033 0.149901 ] [ 0.734842 0.275602 0.872458 ] [ 0.267337 0.739338 0.629797 ] [ 0.734842 0.724398 0.372458 ] [ 0.267337 0.260662 0.129797 ] [ 0.499123 0.263574 0.999747 ] [ 0.989925 0.05355 0.995867 ] [ 0.948581 0.263116 0.747793 ] [ 0.051203 0.760613 0.752045 ] [ 0.522968 0.536305 0.766637 ] [ 0.989925 0.94645 0.495867 ] [ 0.499123 0.736426 0.499747 ] [ 0.522968 0.463695 0.266637 ] [ 0.948581 0.736884 0.247793 ] [ 0.051203 0.239387 0.252045 ] [ 0.477421 0.036744 0.729361 ] [ 0.023033 0.451852 0.503099 ] [ 0.477421 0.963256 0.229361 ] [ 0.023033 0.548148 0.003099 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "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" 5.12255515 "source-unit" "angstrom" } "b" { "source-value" 6.01876286 "source-unit" "angstrom" } "c" { "source-value" 10.01517401 "source-unit" "angstrom" } "beta" { "source-value" 107.8853764 "source-unit" "degree" } }