{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.687972 0.5 ] [ 0 0.312028 0.5 ] [ 0.5 0.187972 0.5 ] [ 0.5 0.812028 0.5 ] [ 0.756726 0 0.098877 ] [ 0.243274 0 0.901123 ] [ 0.256726 0.5 0.098877 ] [ 0.743274 0.5 0.901123 ] [ 0.770886 0.161312 0.292756 ] [ 0.770886 0.838688 0.292756 ] [ 0.580836 0 0.778926 ] [ 0.419164 0 0.221074 ] [ 0 0 0 ] [ 0.229114 0.161312 0.707244 ] [ 0.229114 0.838688 0.707244 ] [ 0.270886 0.661312 0.292756 ] [ 0.270886 0.338688 0.292756 ] [ 0.080836 0.5 0.778926 ] [ 0.919164 0.5 0.221074 ] [ 0.5 0.5 0 ] [ 0.729114 0.661312 0.707244 ] [ 0.729114 0.338688 0.707244 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "V" "V" "V" "V" "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" 6.72001314 "source-unit" "angstrom" } "b" { "source-value" 9.54033426 "source-unit" "angstrom" } "c" { "source-value" 5.24305993 "source-unit" "angstrom" } "beta" { "source-value" 100.68916935 "source-unit" "degree" } }