{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.464452 0.751336 0.207674 ] [ 0.035548 0.251336 0.292326 ] [ 0.535548 0.248664 0.792326 ] [ 0.964452 0.748664 0.707674 ] [ 0.792494 0.581633 0.730071 ] [ 0.841528 0.093707 0.257343 ] [ 0.341528 0.406293 0.757343 ] [ 0.158472 0.906293 0.742657 ] [ 0.221951 0.680639 0.468646 ] [ 0.278049 0.180639 0.031354 ] [ 0.778049 0.319361 0.531354 ] [ 0.721951 0.819361 0.968646 ] [ 0.707311 0.831146 0.469182 ] [ 0.292494 0.918367 0.230071 ] [ 0.292689 0.168854 0.530818 ] [ 0.207311 0.668854 0.969182 ] [ 0.792689 0.331146 0.030818 ] [ 0.707506 0.081633 0.769929 ] [ 0.207506 0.418367 0.269929 ] [ 0.658472 0.593707 0.242657 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "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" 4.78163100498 "source-unit" "angstrom" } "b" { "source-value" 10.49065061 "source-unit" "angstrom" } "c" { "source-value" 5.60119493854 "source-unit" "angstrom" } "beta" { "source-value" 90.8215005149 "source-unit" "degree" } }