{ "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" [ [ 0.341238 0.682769 0.103992 ] [ 0.005604 0.00168 0.011265 ] [ 0.997886 0.99548 0.502006 ] [ 0.660374 0.336882 0.595549 ] [ 0.334814 0.664372 0.489723 ] [ 0.640379 0.287199 0.009976 ] [ 0.167623 0.8114 0.773125 ] [ 0.660634 0.812839 0.787545 ] [ 0.822886 0.639079 0.265099 ] [ 0.16949 0.336162 0.794265 ] [ 0.338593 0.168806 0.29178 ] [ 0.830362 0.168497 0.292007 ] [ 0.163209 0.819903 0.405031 ] [ 0.468536 0.970799 0.669345 ] [ 0.331225 0.692781 0.897414 ] [ 0.00571 0.986774 0.694824 ] [ 0.986523 0.972857 0.20036 ] [ 0.65763 0.822915 0.405528 ] [ 0.03248 0.531431 0.66468 ] [ 0.499115 0.545364 0.665522 ] [ 0.843796 0.673447 0.895838 ] [ 0.169804 0.337791 0.413715 ] [ 0.535158 0.50433 0.154995 ] [ 0.971496 0.502519 0.156043 ] [ 0.68771 0.37601 0.393665 ] [ 0.33452 0.162131 0.907017 ] [ 0.524649 0.048418 0.149736 ] [ 0.818259 0.147364 0.902113 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "V" "V" "V" "Ni" "Ni" "Ni" "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" 5.86395704 "source-unit" "angstrom" } "b" { "source-value" 5.89264094 "source-unit" "angstrom" } "c" { "source-value" 9.60855577 "source-unit" "angstrom" } "alpha" { "source-value" 90.50351032 "source-unit" "degree" } "beta" { "source-value" 90.03819498 "source-unit" "degree" } "gamma" { "source-value" 119.74600246 "source-unit" "degree" } }