{ "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" [ [ 0.273867 0.616046 0.472588 ] [ 0.273867 0.383954 0.972588 ] [ 0.261829 0.820166 0.907561 ] [ 0.738147 0.823633 0.592941 ] [ 0.261829 0.179834 0.407561 ] [ 0.738147 0.176367 0.092941 ] [ 0.226459 0.12983 0.577257 ] [ 0.255324 0.534406 0.630679 ] [ 0.992771 0.74138 0.750387 ] [ 0.749468 0.523689 0.869011 ] [ 0.226459 0.87017 0.077257 ] [ 0.255324 0.465594 0.130679 ] [ 0.992771 0.25862 0.250387 ] [ 0.749468 0.476311 0.369011 ] [ 0.769064 0.877163 0.420459 ] [ 0.769064 0.122837 0.920459 ] [ 0.777101 0.707957 0.358267 ] [ 0.965993 0.602358 0.916553 ] [ 0.94455 0.055868 0.569875 ] [ 0.645771 0.223304 0.986018 ] [ 0.326111 0.769011 0.009488 ] [ 0.069246 0.3676 0.077828 ] [ 0.94455 0.944132 0.069875 ] [ 0.54384 0.426953 0.116901 ] [ 0.4142 0.021397 0.108692 ] [ 0.208327 0.695613 0.136744 ] [ 0.843817 0.14131 0.196383 ] [ 0.188033 0.410003 0.211532 ] [ 0.784874 0.404443 0.288594 ] [ 0.150629 0.15098 0.305649 ] [ 0.061471 0.071207 0.930394 ] [ 0.601078 0.041182 0.389374 ] [ 0.466643 0.439867 0.391431 ] [ 0.965993 0.397642 0.416553 ] [ 0.061471 0.928793 0.430394 ] [ 0.601078 0.958818 0.889374 ] [ 0.326111 0.230989 0.509488 ] [ 0.069246 0.6324 0.577828 ] [ 0.466643 0.560133 0.891431 ] [ 0.54384 0.573047 0.616901 ] [ 0.4142 0.978603 0.608692 ] [ 0.208327 0.304387 0.636744 ] [ 0.843817 0.85869 0.696383 ] [ 0.188033 0.589997 0.711532 ] [ 0.784874 0.595557 0.788594 ] [ 0.150629 0.84902 0.805649 ] [ 0.777101 0.292043 0.858267 ] [ 0.645771 0.776696 0.486018 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "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" "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" 5.0684933233 "source-unit" "angstrom" } "b" { "source-value" 6.7820661 "source-unit" "angstrom" } "c" { "source-value" 18.8125560353 "source-unit" "angstrom" } "beta" { "source-value" 90.0931730593 "source-unit" "degree" } }