{ "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" [ [ 0.032274 0.951136 0.995699 ] [ 0.540019 0.801954 0.670274 ] [ 0.949588 0.653851 0.338183 ] [ 0.51514 0.486314 0.001706 ] [ 0.033083 0.291738 0.663592 ] [ 0.442904 0.192528 0.327483 ] [ 0.769554 0.630375 0.686041 ] [ 0.719476 0.453573 0.351686 ] [ 0.197425 0.700442 0.974713 ] [ 0.21835 0.376674 0.309797 ] [ 0.208681 0.054311 0.648218 ] [ 0.793446 0.943912 0.359726 ] [ 0.714705 0.805317 0.024374 ] [ 0.288007 0.884254 0.312195 ] [ 0.904699 0.979305 0.889127 ] [ 0.563746 0.812328 0.552616 ] [ 0.944121 0.633722 0.218612 ] [ 0.405581 0.876783 0.780402 ] [ 0.093845 0.713182 0.447092 ] [ 0.400967 0.548787 0.114482 ] [ 0.792899 0.322168 0.026902 ] [ 0.283169 0.538787 0.638387 ] [ 0.572313 0.46432 0.883863 ] [ 0.90906 0.285237 0.553224 ] [ 0.592393 0.107369 0.22045 ] [ 0.070329 0.415842 0.781162 ] [ 0.440052 0.215451 0.447163 ] [ 0.077316 0.059057 0.113302 ] [ 0.724811 0.121838 0.694595 ] [ 0.302045 0.179441 0.97494 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "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" 5.35724535 "source-unit" "angstrom" } "b" { "source-value" 5.49728862 "source-unit" "angstrom" } "c" { "source-value" 14.92364567 "source-unit" "angstrom" } "alpha" { "source-value" 100.56613654 "source-unit" "degree" } "beta" { "source-value" 89.65687274 "source-unit" "degree" } "gamma" { "source-value" 92.05213432 "source-unit" "degree" } }