{ "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" [ [ 0.657981 0.654503 0.500171 ] [ 0.342019 0.345497 0.499829 ] [ 0.670677 0.664574 0.006321 ] [ 0.171075 0.664772 0.006487 ] [ 0.828925 0.335228 0.993513 ] [ 0.329323 0.335426 0.993679 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.168301 0.659941 0.498827 ] [ 0.5 0 0.5 ] [ 0.831699 0.340059 0.501173 ] [ 1 0 0.5 ] [ 0.104022 0.836355 0.288072 ] [ 0.546546 0.830266 0.704314 ] [ 0.608514 0.849123 0.295772 ] [ 0.252812 0.517235 0.290874 ] [ 0.070346 0.825716 0.699148 ] [ 0.783425 0.500436 0.291498 ] [ 0.216575 0.499564 0.708502 ] [ 0.929654 0.174284 0.300852 ] [ 0.391486 0.150877 0.704228 ] [ 0.747188 0.482765 0.709126 ] [ 0.453454 0.169734 0.295686 ] [ 0.895978 0.163645 0.711928 ] [ 0.162025 0.869179 0.393302 ] [ 0.004064 0.780586 0.11436 ] [ 0.486305 0.811506 0.601488 ] [ 0.669334 0.854014 0.903393 ] [ 0.50391 0.781549 0.112813 ] [ 0.314894 0.546233 0.39286 ] [ 0.670418 0.883827 0.399255 ] [ 0.016818 0.808487 0.596507 ] [ 0.169087 0.856181 0.904265 ] [ 0.834971 0.5354 0.900166 ] [ 0.665882 0.464245 0.101332 ] [ 0.844589 0.52046 0.394447 ] [ 0.155411 0.47954 0.605553 ] [ 0.334118 0.535755 0.898668 ] [ 0.165029 0.4646 0.099834 ] [ 0.983182 0.191513 0.403493 ] [ 0.830913 0.143819 0.095735 ] [ 0.49609 0.218451 0.887187 ] [ 0.685106 0.453767 0.60714 ] [ 0.329582 0.116173 0.600745 ] [ 0.330666 0.145986 0.096607 ] [ 0.513695 0.188494 0.398512 ] [ 0.837975 0.130821 0.606698 ] [ 0.995936 0.219414 0.88564 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Al" "Al" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.88321524 "source-unit" "angstrom" } "b" { "source-value" 7.95033354 "source-unit" "angstrom" } "c" { "source-value" 10.12917123 "source-unit" "angstrom" } "alpha" { "source-value" 97.21771161 "source-unit" "degree" } "beta" { "source-value" 106.72385957 "source-unit" "degree" } "gamma" { "source-value" 100.91639838 "source-unit" "degree" } }