{ "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" [ [ 0.67848 0.700866 0.841014 ] [ 0.328092 0.342812 0.672354 ] [ 0.646568 0.64969 0.320846 ] [ 0.319573 0.330287 0.168825 ] [ 0.999469 0.00173 0.495614 ] [ 0.030318 0.983707 0.000273 ] [ 0.022901 0.646687 0.66978 ] [ 0.367475 0.954065 0.334275 ] [ 0.229873 0.229278 0.965248 ] [ 0.769483 0.76863 0.035862 ] [ 0.427645 0.431285 0.37305 ] [ 0.321582 0.687378 0.991537 ] [ 0.638433 0.033599 0.671891 ] [ 0.944529 0.372112 0.335051 ] [ 0.571499 0.574732 0.632788 ] [ 0.893849 0.890165 0.299234 ] [ 0.103581 0.102876 0.69901 ] [ 0.706648 0.300101 0.993352 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.59326423 "source-unit" "angstrom" } "b" { "source-value" 5.59543172 "source-unit" "angstrom" } "c" { "source-value" 7.37805858 "source-unit" "angstrom" } "alpha" { "source-value" 71.54890816 "source-unit" "degree" } "beta" { "source-value" 71.65473712 "source-unit" "degree" } "gamma" { "source-value" 70.86346311 "source-unit" "degree" } }