{ "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" [ [ 0.643849 0.6799 0.882401 ] [ 0.96699 0.029131 0.214267 ] [ 0.312574 0.359633 0.551849 ] [ 0.666269 0.677744 0.66707 ] [ 0.640569 0.681759 0.160926 ] [ 0.039624 0.968459 0.002065 ] [ 0.368902 0.294574 0.824258 ] [ 0.321111 0.358226 0.334563 ] [ 0.024857 0.973847 0.49195 ] [ 0.930883 0.728741 0.584365 ] [ 0.742067 0.907279 0.088518 ] [ 0.608397 0.000954 0.752789 ] [ 0.595399 0.400499 0.250136 ] [ 0.437491 0.589422 0.751068 ] [ 0.312777 0.739203 0.083865 ] [ 0.264974 0.678567 0.42202 ] [ 0.262341 0.064978 0.913958 ] [ 0.097113 0.26483 0.417552 ] [ 0.008465 0.393884 0.750436 ] [ 0.940738 0.31896 0.088279 ] [ 0.704983 0.33605 0.576023 ] [ 0.349566 0.014384 0.246939 ] [ 0.653757 0.294331 0.922182 ] [ 0.319049 0.976514 0.585942 ] [ 0.668704 0.069134 0.417373 ] [ 0.035947 0.673862 0.911036 ] [ 0.983885 0.644585 0.254006 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.09093535 "source-unit" "angstrom" } "b" { "source-value" 5.12561388 "source-unit" "angstrom" } "c" { "source-value" 13.52798682 "source-unit" "angstrom" } "alpha" { "source-value" 87.96893363 "source-unit" "degree" } "beta" { "source-value" 87.30104957 "source-unit" "degree" } "gamma" { "source-value" 62.01497716 "source-unit" "degree" } }