{ "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" [ [ 0.697985 0.680023 0.836758 ] [ 0.307263 0.367888 0.681304 ] [ 0.692737 0.632112 0.318696 ] [ 0.302015 0.319977 0.163242 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.019662 0.671006 0.662308 ] [ 0.203564 0.231849 0.970088 ] [ 0.796436 0.768151 0.029912 ] [ 0.980338 0.328994 0.337692 ] [ 0.378541 0.937624 0.342255 ] [ 0.911728 0.895819 0.293295 ] [ 0.584138 0.575574 0.635294 ] [ 0.088272 0.104181 0.706705 ] [ 0.415862 0.424426 0.364706 ] [ 0.621459 0.062376 0.657745 ] [ 0.331192 0.703967 0.989168 ] [ 0.668808 0.296033 0.010832 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69017881 "source-unit" "angstrom" } "b" { "source-value" 5.7974485 "source-unit" "angstrom" } "c" { "source-value" 7.42711785 "source-unit" "angstrom" } "alpha" { "source-value" 73.49017873 "source-unit" "degree" } "beta" { "source-value" 73.43655775 "source-unit" "degree" } "gamma" { "source-value" 72.5634844 "source-unit" "degree" } }