{ "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" [ [ 0.772407 0.097076 0.872353 ] [ 0.773924 0.100906 0.369923 ] [ 0.248443 0.280995 0.480997 ] [ 0.254013 0.277495 0.757838 ] [ 0.233792 0.287017 0.263946 ] [ 0.774799 0.353257 0.133687 ] [ 0.753516 0.717745 0.021979 ] [ 0.750372 0.715949 0.732683 ] [ 0.745196 0.72072 0.509414 ] [ 0.749759 0.717085 0.234835 ] [ 0.225585 0.901036 0.622388 ] [ 0.235485 0.894964 0.13003 ] [ 0.243295 0.259854 0.007552 ] [ 0.790448 0.32789 0.624409 ] [ 0.205423 0.669525 0.875159 ] [ 0.207237 0.671216 0.374791 ] [ 0.721232 0.410242 0.877096 ] [ 0.720901 0.409081 0.373042 ] [ 0.278392 0.589219 0.625083 ] [ 0.279237 0.588578 0.125861 ] [ 0.691593 0.034512 0.626294 ] [ 0.716334 0.041179 0.1173 ] [ 0.30719 0.965224 0.374975 ] [ 0.305064 0.962212 0.874396 ] [ 0.967569 0.06895 0.112935 ] [ 0.938604 0.072591 0.627105 ] [ 0.361547 0.10967 0.87772 ] [ 0.364171 0.110358 0.373857 ] [ 0.499301 0.148562 0.6275 ] [ 0.52979 0.157575 0.115616 ] [ 0.827684 0.306896 0.46576 ] [ 0.833041 0.312688 0.96925 ] [ 0.813792 0.307033 0.785062 ] [ 0.820167 0.30916 0.281659 ] [ 0.176095 0.422874 0.627551 ] [ 0.173806 0.422345 0.129832 ] [ 0.405362 0.431561 0.37613 ] [ 0.403867 0.425973 0.885081 ] [ 0.593032 0.568226 0.624447 ] [ 0.591137 0.57355 0.124764 ] [ 0.816175 0.577873 0.870855 ] [ 0.822165 0.576425 0.373651 ] [ 0.171686 0.692346 0.533795 ] [ 0.175191 0.691619 0.716164 ] [ 0.170195 0.691521 0.2158 ] [ 0.167009 0.689141 0.033427 ] [ 0.498129 0.850851 0.872449 ] [ 0.498741 0.850219 0.376855 ] [ 0.635061 0.888824 0.624413 ] [ 0.6448 0.896899 0.125336 ] [ 0.058581 0.926027 0.873174 ] [ 0.05966 0.927264 0.373779 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "P" "P" "P" "P" "C" "C" "C" "C" "O" "O" "O" "O" "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" 4.985573 "source-unit" "angstrom" } "b" { "source-value" 8.51075505 "source-unit" "angstrom" } "c" { "source-value" 13.24247665 "source-unit" "angstrom" } "alpha" { "source-value" 89.11612982 "source-unit" "degree" } "beta" { "source-value" 89.66230928 "source-unit" "degree" } "gamma" { "source-value" 85.07393076 "source-unit" "degree" } }