{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.297222 0.099253 0.387661 ] [ 0.725777 0.660774 0.178423 ] [ 0.023518 0.042975 0.991191 ] [ 0.416362 0.471131 0.792341 ] [ 0.802861 0.8434 0.59239 ] [ 0.336122 0.453705 0.93436 ] [ 0.068268 0.123957 0.839703 ] [ 0.151063 0.137367 0.530565 ] [ 0.771886 0.813417 0.742644 ] [ 0.493476 0.496609 0.382642 ] [ 0.453089 0.474258 0.633535 ] [ 0.870455 0.092263 0.145372 ] [ 0.801186 0.829397 0.449228 ] [ 0.762245 0.878638 0.299926 ] [ 0.148145 0.247823 0.253385 ] [ 0.213089 0.465776 0.108054 ] [ 0.621237 0.769257 0.038582 ] ] } "species" { "source-value" [ "Bi" "Bi" "Pb" "Pb" "Pb" "F" "F" "F" "F" "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" 4.32393114 "source-unit" "angstrom" } "b" { "source-value" 4.33481359 "source-unit" "angstrom" } "c" { "source-value" 17.25612759 "source-unit" "angstrom" } "alpha" { "source-value" 84.65213762 "source-unit" "degree" } "beta" { "source-value" 83.77876167 "source-unit" "degree" } "gamma" { "source-value" 60.31094008 "source-unit" "degree" } }