{ "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" [ [ 0.708204 0.5 0.00883 ] [ 0.660016 0.5 0.642372 ] [ 0.635273 0.5 0.349172 ] [ 0.206004 0.5 0.508506 ] [ 0.159034 0.5 0.141827 ] [ 0.133422 0.5 0.849603 ] [ 0.325835 0 0.685993 ] [ 0.308551 0 0.319948 ] [ 0.860951 0 0.496281 ] [ 0.823877 0 0.184846 ] [ 0.8112 0 0.819873 ] [ 0.364264 0 0.995927 ] [ 0.997643 0.5 0.333251 ] [ 0.000379 0 0.999897 ] [ 0.99778 0.5 0.666896 ] [ 0.50226 0.5 0.8346 ] [ 0.501064 0 0.499389 ] [ 0.501158 0.5 0.165214 ] [ 0.986371 0.5 0.569664 ] [ 0.981081 0.5 0.236213 ] [ 0.861743 0.5 0.390825 ] [ 0.858318 0.5 0.721378 ] [ 0.848889 0 0.042573 ] [ 0.656252 0.5 0.874126 ] [ 0.652458 0.5 0.208442 ] [ 0.638207 0 0.556231 ] [ 0.518408 0 0.402567 ] [ 0.489894 0.5 0.068058 ] [ 0.48587 0.5 0.73738 ] [ 0.364501 0.5 0.890985 ] [ 0.361401 0.5 0.219088 ] [ 0.347076 0 0.539455 ] [ 0.151273 0.5 0.373632 ] [ 0.148624 0.5 0.70974 ] [ 0.140257 0 0.05454 ] [ 0.012459 0 0.902673 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "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" 8.2599302 "source-unit" "angstrom" } "b" { "source-value" 3.15082488 "source-unit" "angstrom" } "c" { "source-value" 14.28893815 "source-unit" "angstrom" } "beta" { "source-value" 90.01503384 "source-unit" "degree" } }