{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.766933 0.484215 0.203972 ] [ 0.766933 0.015785 0.203972 ] [ 0.233067 0.515785 0.796028 ] [ 0.233067 0.984215 0.796028 ] [ 0.215037 0.25 0.335215 ] [ 0.784963 0.75 0.664785 ] [ 0.266033 0.25 0.059477 ] [ 0.733967 0.75 0.940523 ] [ 0.28064 0.75 0.429554 ] [ 0.71936 0.25 0.570446 ] [ 0.707096 0.75 0.091556 ] [ 0.026821 0.25 0.13484 ] [ 0.470435 0.25 0.178181 ] [ 0.194726 0.942873 0.32634 ] [ 0.194726 0.557127 0.32634 ] [ 0.8547 0.25 0.414926 ] [ 0.582022 0.75 0.465971 ] [ 0.417978 0.25 0.534029 ] [ 0.1453 0.75 0.585074 ] [ 0.805274 0.442873 0.67366 ] [ 0.805274 0.057127 0.67366 ] [ 0.529565 0.75 0.821819 ] [ 0.973179 0.75 0.86516 ] [ 0.292904 0.25 0.908444 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "B" "B" "P" "P" "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" 5.09633845 "source-unit" "angstrom" } "b" { "source-value" 6.21993538 "source-unit" "angstrom" } "c" { "source-value" 8.64763739 "source-unit" "angstrom" } "beta" { "source-value" 93.12643408 "source-unit" "degree" } }