{ "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" [ [ 0.707692 0.5 0.992504 ] [ 0.661615 0.5 0.358546 ] [ 0.634912 0.5 0.649873 ] [ 0.207135 0.5 0.490795 ] [ 0.158298 0.5 0.857898 ] [ 0.132002 0.5 0.151483 ] [ 0.825821 0 0.813908 ] [ 0.366162 0 0.005951 ] [ 0.32619 0 0.314277 ] [ 0.308652 0 0.67953 ] [ 0.862851 0 0.503672 ] [ 0.812691 0 0.179483 ] [ 0.999448 0.5 0.664888 ] [ 0.998038 0 0.000482 ] [ 0.997926 0.5 0.333304 ] [ 0.502184 0.5 0.167363 ] [ 0.501505 0 0.500784 ] [ 0.499861 0.5 0.83331 ] [ 0.985311 0.5 0.430267 ] [ 0.984815 0.5 0.761961 ] [ 0.862561 0.5 0.608247 ] [ 0.859305 0.5 0.277903 ] [ 0.844681 0 0.960353 ] [ 0.654983 0.5 0.127124 ] [ 0.649699 0.5 0.789738 ] [ 0.639068 0 0.444451 ] [ 0.518527 0 0.597432 ] [ 0.490437 0.5 0.930249 ] [ 0.48625 0.5 0.26425 ] [ 0.363392 0.5 0.111504 ] [ 0.359042 0.5 0.780202 ] [ 0.347847 0 0.460347 ] [ 0.152686 0.5 0.624687 ] [ 0.149438 0.5 0.291585 ] [ 0.135136 0 0.94399 ] [ 0.013842 0 0.097656 ] ] } "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" 8.27087402 "source-unit" "angstrom" } "b" { "source-value" 3.17341844 "source-unit" "angstrom" } "c" { "source-value" 14.32463894 "source-unit" "angstrom" } "beta" { "source-value" 90.16400089 "source-unit" "degree" } }