{ "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" [ [ 0.009127 0.069226 0.917644 ] [ 0.009127 0.930774 0.417644 ] [ 0.785395 0.566366 0.82264 ] [ 0.785395 0.433634 0.32264 ] [ 0.006112 0.564155 0.586638 ] [ 0.006112 0.435845 0.086638 ] [ 0.490978 0.549748 0.599348 ] [ 0.502652 0.063284 0.90547 ] [ 0.490978 0.450252 0.099348 ] [ 0.502652 0.936716 0.40547 ] [ 0.239672 0.572705 0.838183 ] [ 0.239672 0.427295 0.338183 ] [ 0.760483 0.064918 0.65757 ] [ 0.760483 0.935082 0.15757 ] [ 0.037762 0.460698 0.902349 ] [ 0.037762 0.539302 0.402349 ] [ 0.263432 0.889832 0.866437 ] [ 0.246373 0.509057 0.689919 ] [ 0.263432 0.110168 0.366437 ] [ 0.246373 0.490943 0.189919 ] [ 0.456054 0.441067 0.902111 ] [ 0.456054 0.558933 0.402111 ] [ 0.550365 0.961046 0.581736 ] [ 0.550365 0.038954 0.081736 ] [ 0.733532 0.967918 0.807435 ] [ 0.748319 0.390334 0.657733 ] [ 0.733532 0.032082 0.307435 ] [ 0.748319 0.609666 0.157733 ] [ 0.950358 0.940607 0.592125 ] [ 0.950358 0.059393 0.092125 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 6.62236625 "source-unit" "angstrom" } "b" { "source-value" 5.11104363 "source-unit" "angstrom" } "c" { "source-value" 10.74845127 "source-unit" "angstrom" } "beta" { "source-value" 90.66074454 "source-unit" "degree" } }