{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.904909 0.798965 0.200374 ] [ 0.095091 0.201035 0.799626 ] [ 0.5 0 0 ] [ 0.799857 0.603553 0.904019 ] [ 0 0 0.5 ] [ 0.397484 0.801438 0.702024 ] [ 0.200143 0.396447 0.095981 ] [ 0.300246 0.599642 0.397309 ] [ 0.602516 0.198562 0.297976 ] [ 0.699754 0.400358 0.602691 ] [ 0.04992 0.092064 0.151291 ] [ 0.95008 0.907936 0.848709 ] [ 0.361204 0.706371 0.060659 ] [ 0.549207 0.107007 0.660099 ] [ 0.450793 0.892993 0.339901 ] [ 0.847336 0.702146 0.550031 ] [ 0.756219 0.505866 0.245238 ] [ 0.638796 0.293629 0.939341 ] [ 0.243781 0.494134 0.754762 ] [ 0.152664 0.297854 0.449969 ] ] } "species" { "source-value" [ "Mn" "Mn" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "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" 3.33726666 "source-unit" "angstrom" } "b" { "source-value" 7.49115699 "source-unit" "angstrom" } "c" { "source-value" 11.11570005 "source-unit" "angstrom" } "alpha" { "source-value" 101.72743996 "source-unit" "degree" } "beta" { "source-value" 89.98314598 "source-unit" "degree" } "gamma" { "source-value" 102.85850698 "source-unit" "degree" } }