{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.245915 0.217684 0.011067 ] [ 0.754085 0.717684 0.488933 ] [ 0.245915 0.282316 0.511067 ] [ 0.754085 0.782316 0.988933 ] [ 0.48061 0.302233 0.334424 ] [ 0.51939 0.802233 0.165576 ] [ 0.48061 0.197767 0.834424 ] [ 0.51939 0.697767 0.665576 ] [ 0.173384 0.748478 0.157186 ] [ 0.672433 0.201278 0.609776 ] [ 0.826616 0.248478 0.342814 ] [ 0.672433 0.298722 0.109776 ] [ 0.327567 0.701278 0.890224 ] [ 0.173384 0.751522 0.657186 ] [ 0.327567 0.798722 0.390224 ] [ 0.826616 0.251522 0.842814 ] [ 0.283096 0.978234 0.169188 ] [ 0.294665 0.53975 0.15983 ] [ 0.489362 0.709406 0.385637 ] [ 0.673704 0.930536 0.597587 ] [ 0.833509 0.277913 0.728544 ] [ 0.694754 0.336215 0.523065 ] [ 0.008369 0.254936 0.93399 ] [ 0.510638 0.209406 0.114363 ] [ 0.705335 0.03975 0.34017 ] [ 0.716904 0.478234 0.330812 ] [ 0.991631 0.754936 0.56601 ] [ 0.673704 0.569464 0.097587 ] [ 0.305246 0.836215 0.976935 ] [ 0.166491 0.777913 0.771456 ] [ 0.833509 0.222087 0.228544 ] [ 0.694754 0.163785 0.023065 ] [ 0.326296 0.430536 0.902413 ] [ 0.008369 0.245064 0.43399 ] [ 0.283096 0.521766 0.669188 ] [ 0.294665 0.96025 0.65983 ] [ 0.489362 0.790594 0.885637 ] [ 0.991631 0.745064 0.06601 ] [ 0.305246 0.663785 0.476935 ] [ 0.166491 0.722087 0.271456 ] [ 0.326296 0.069464 0.402413 ] [ 0.510638 0.290594 0.614363 ] [ 0.705335 0.46025 0.84017 ] [ 0.716904 0.021766 0.830812 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.9094165 "source-unit" "angstrom" } "b" { "source-value" 5.61448275 "source-unit" "angstrom" } "c" { "source-value" 14.11230636 "source-unit" "angstrom" } "beta" { "source-value" 120.24371321 "source-unit" "degree" } }