{ "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 0 0 ] [ 0.400708 0.801649 0.799948 ] [ 0.405592 0.300507 0.802988 ] [ 0.199228 0.39836 0.39823 ] [ 0.800772 0.60164 0.60177 ] [ 0.803549 0.099485 0.59918 ] [ 0.196451 0.900515 0.40082 ] [ 0 0.5 0 ] [ 0.594408 0.699493 0.197012 ] [ 0.599292 0.198351 0.200052 ] [ 0.103585 0.450386 0.699338 ] [ 0.098598 0.951985 0.709343 ] [ 0.707727 0.661873 0.904657 ] [ 0.714836 0.144351 0.903914 ] [ 0.50244 0.250365 0.505087 ] [ 0.49756 0.749635 0.494913 ] [ 0.285164 0.855649 0.096086 ] [ 0.292273 0.338127 0.095343 ] [ 0.901402 0.048015 0.290657 ] [ 0.896415 0.549614 0.300662 ] ] } "species" { "source-value" [ "Mn" "Cd" "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" 5.83263926 "source-unit" "angstrom" } "b" { "source-value" 6.73663247 "source-unit" "angstrom" } "c" { "source-value" 7.53099112 "source-unit" "angstrom" } "alpha" { "source-value" 102.91796035 "source-unit" "degree" } "beta" { "source-value" 97.40999291 "source-unit" "degree" } "gamma" { "source-value" 106.83490326 "source-unit" "degree" } }