{ "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" [ [ 0.84168 0.411618 0.228592 ] [ 0.15832 0.588382 0.771408 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.74621 0.251832 0.748122 ] [ 0.25379 0.748168 0.251878 ] [ 0.899451 0.783173 0.542399 ] [ 0.603329 0.71845 0.963303 ] [ 0.396671 0.28155 0.036697 ] [ 0.100549 0.216827 0.457601 ] [ 0.752551 0.887303 0.973622 ] [ 0.788483 0.965522 0.570237 ] [ 0.723898 0.538264 0.937088 ] [ 0.995138 0.319745 0.652162 ] [ 0.750434 0.607615 0.518734 ] [ 0.460456 0.663364 0.784992 ] [ 0.962139 0.182227 0.282625 ] [ 0.505232 0.18825 0.847423 ] [ 0.494768 0.81175 0.152577 ] [ 0.037861 0.817773 0.717375 ] [ 0.539544 0.336636 0.215008 ] [ 0.249566 0.392385 0.481266 ] [ 0.004862 0.680255 0.347838 ] [ 0.276102 0.461736 0.062912 ] [ 0.211517 0.034478 0.429763 ] [ 0.247449 0.112697 0.026378 ] [ 0.896512 0.224038 0.960157 ] [ 0.399365 0.717446 0.457387 ] [ 0.600635 0.282554 0.542613 ] [ 0.103488 0.775962 0.039843 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "Cr" "Cr" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.88357775 "source-unit" "angstrom" } "b" { "source-value" 7.47945919 "source-unit" "angstrom" } "c" { "source-value" 7.71366625 "source-unit" "angstrom" } "alpha" { "source-value" 117.05815591 "source-unit" "degree" } "beta" { "source-value" 90.89695249 "source-unit" "degree" } "gamma" { "source-value" 91.25420226 "source-unit" "degree" } }