{ "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" [ [ 0.989542 0.257048 0.981228 ] [ 0.989542 0.742952 0.981228 ] [ 0.50227 0.742788 0.521311 ] [ 0.50227 0.257212 0.521311 ] [ 0.998003 0.5 0.723345 ] [ 0.549576 0.5 0.205678 ] [ 0.442182 0 0.781953 ] [ 0.015926 0 0.28675 ] [ 0.907121 0 0.608724 ] [ 0.5661 0 0.074941 ] [ 0.41548 0.5 0.908657 ] [ 0.111606 0.5 0.411016 ] [ 0.768781 0 0.467531 ] [ 0.788532 0.204836 0.670034 ] [ 0.788532 0.795164 0.670034 ] [ 0.795214 0.5 0.387621 ] [ 0.732616 0.5 0.912145 ] [ 0.697883 0.197147 0.149784 ] [ 0.697883 0.802853 0.149784 ] [ 0.686003 0 0.940789 ] [ 0.294736 0.5 0.044584 ] [ 0.276921 0.696811 0.835841 ] [ 0.276921 0.303189 0.835841 ] [ 0.247039 0 0.074222 ] [ 0.229196 0 0.606059 ] [ 0.254676 0.698232 0.349014 ] [ 0.254676 0.301768 0.349014 ] [ 0.220773 0.5 0.551557 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Bi" "P" "P" "P" "P" "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" 4.82149287 "source-unit" "angstrom" } "b" { "source-value" 6.25156578 "source-unit" "angstrom" } "c" { "source-value" 10.51078536 "source-unit" "angstrom" } "beta" { "source-value" 92.70910219 "source-unit" "degree" } }