{ "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" [ [ 0.707261 0.5 0.009573 ] [ 0.658914 0.5 0.642105 ] [ 0.633326 0.5 0.348901 ] [ 0.207247 0.5 0.508332 ] [ 0.159845 0.5 0.142208 ] [ 0.134304 0.5 0.849941 ] [ 0.864826 0 0.493793 ] [ 0.807297 0 0.819903 ] [ 0.326658 0 0.685649 ] [ 0.308557 0 0.320282 ] [ 0.824285 0 0.183414 ] [ 0.363433 0 0.996202 ] [ 0.998331 0.5 0.331956 ] [ 0.001784 0 0.000189 ] [ 0.000124 0.5 0.666678 ] [ 0.499213 0.5 0.835067 ] [ 0.49999 0 0.499985 ] [ 0.50101 0.5 0.165647 ] [ 0.990018 0.5 0.569779 ] [ 0.982375 0.5 0.235042 ] [ 0.86087 0.5 0.388393 ] [ 0.859694 0.5 0.720135 ] [ 0.848965 0 0.041952 ] [ 0.652846 0.5 0.875733 ] [ 0.652799 0.5 0.208064 ] [ 0.635631 0 0.558089 ] [ 0.519071 0 0.403054 ] [ 0.488289 0.5 0.068578 ] [ 0.485429 0.5 0.73777 ] [ 0.362107 0.5 0.891281 ] [ 0.362002 0.5 0.220108 ] [ 0.345175 0 0.53882 ] [ 0.151168 0.5 0.373512 ] [ 0.150332 0.5 0.710307 ] [ 0.140247 0 0.056128 ] [ 0.016575 0 0.903426 ] ] } "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" 8.26180855 "source-unit" "angstrom" } "b" { "source-value" 3.17449406 "source-unit" "angstrom" } "c" { "source-value" 14.29065174 "source-unit" "angstrom" } "beta" { "source-value" 90.04467735 "source-unit" "degree" } }