{ "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" [ [ 0.332252 0.663294 0.880387 ] [ 0.958554 0.980145 0.987926 ] [ 0.97669 0.985777 0.501787 ] [ 0.653646 0.326664 0.401477 ] [ 0.347963 0.678063 0.498421 ] [ 0.693669 0.345256 0.977101 ] [ 0.664901 0.831737 0.21493 ] [ 0.835298 0.663627 0.713885 ] [ 0.8336 0.172107 0.71356 ] [ 0.171496 0.833578 0.213502 ] [ 0.172348 0.339788 0.214228 ] [ 0.342598 0.170507 0.714307 ] [ 0.17783 0.852904 0.596539 ] [ 0.03393 0.519455 0.3366 ] [ 0.3272 0.662731 0.101872 ] [ 0.01081 0.007667 0.315967 ] [ 0.014136 0.016367 0.809086 ] [ 0.170686 0.329688 0.597916 ] [ 0.472775 0.959559 0.336769 ] [ 0.472586 0.510701 0.337844 ] [ 0.320517 0.159642 0.102001 ] [ 0.66606 0.840526 0.598647 ] [ 0.506697 0.46296 0.84963 ] [ 0.520031 0.036305 0.841992 ] [ 0.655658 0.318866 0.602304 ] [ 0.854626 0.685406 0.101799 ] [ 0.960284 0.470896 0.845357 ] [ 0.853159 0.176085 0.102004 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.08588388 "source-unit" "angstrom" } "b" { "source-value" 6.14159809 "source-unit" "angstrom" } "c" { "source-value" 9.73031464 "source-unit" "angstrom" } "alpha" { "source-value" 90.07168484 "source-unit" "degree" } "beta" { "source-value" 91.02592193 "source-unit" "degree" } "gamma" { "source-value" 119.6729398 "source-unit" "degree" } }