{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.023888 0.75 0.293346 ] [ 0.976112 0.25 0.706654 ] [ 0.508627 0.25 0.221346 ] [ 0.491373 0.75 0.778654 ] [ 0.631712 0.75 0.103238 ] [ 0.071408 0.25 0.422858 ] [ 0.928592 0.75 0.577142 ] [ 0.368288 0.25 0.896762 ] [ 0.260279 0.25 0.028044 ] [ 0.319653 0.75 0.11201 ] [ 0.778042 0.94473 0.167914 ] [ 0.778042 0.55527 0.167914 ] [ 0.184528 0.451724 0.353167 ] [ 0.184528 0.048276 0.353167 ] [ 0.756889 0.25 0.42854 ] [ 0.782218 0.75 0.45097 ] [ 0.217782 0.25 0.54903 ] [ 0.243111 0.75 0.57146 ] [ 0.815472 0.951724 0.646833 ] [ 0.815472 0.548276 0.646833 ] [ 0.221958 0.44473 0.832086 ] [ 0.221958 0.05527 0.832086 ] [ 0.680347 0.25 0.88799 ] [ 0.739721 0.75 0.971956 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Sn" "Sn" "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" 4.88598899 "source-unit" "angstrom" } "b" { "source-value" 6.24663435 "source-unit" "angstrom" } "c" { "source-value" 11.09730198 "source-unit" "angstrom" } "beta" { "source-value" 91.19890106 "source-unit" "degree" } }