{ "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" [ [ 0.468169 0.419662 0.210268 ] [ 0.964211 0.589831 0.212064 ] [ 0.965384 0.079552 0.285208 ] [ 0.451656 0.907624 0.293461 ] [ 0.529534 0.07853 0.696222 ] [ 0.034409 0.922679 0.695782 ] [ 0.039354 0.415077 0.792998 ] [ 0.538258 0.576089 0.808503 ] [ 0.750529 0.9057 0.011296 ] [ 0.740174 0.261057 0.012341 ] [ 0.233635 0.73919 0.011866 ] [ 0.254213 0.095001 0.011137 ] [ 0.767052 0.418766 0.495943 ] [ 0.730551 0.762201 0.491232 ] [ 0.258987 0.246801 0.492314 ] [ 0.243938 0.58508 0.497466 ] [ 0.90835 0.086465 0.09082 ] [ 0.404449 0.914607 0.091656 ] [ 0.431529 0.246615 0.095047 ] [ 0.924434 0.753787 0.092543 ] [ 0.418466 0.745229 0.417704 ] [ 0.425316 0.416405 0.409098 ] [ 0.902423 0.59122 0.404683 ] [ 0.078594 0.407685 0.597697 ] [ 0.81369 0.418122 0.145849 ] [ 0.311066 0.589331 0.149802 ] [ 0.795226 0.919792 0.355193 ] [ 0.30538 0.083657 0.363289 ] [ 0.937992 0.259761 0.386921 ] [ 0.588719 0.580691 0.618585 ] [ 0.59436 0.247128 0.592743 ] [ 0.065625 0.736944 0.610931 ] [ 0.704484 0.918254 0.632743 ] [ 0.195525 0.091272 0.632382 ] [ 0.706817 0.40984 0.867225 ] [ 0.206785 0.580131 0.872527 ] [ 0.07844 0.23684 0.892287 ] [ 0.571473 0.764143 0.889871 ] [ 0.580944 0.086007 0.886248 ] [ 0.079855 0.913235 0.886049 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "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" 5.47583174 "source-unit" "angstrom" } "b" { "source-value" 8.9728705 "source-unit" "angstrom" } "c" { "source-value" 10.12959631 "source-unit" "angstrom" } "alpha" { "source-value" 90.38528193 "source-unit" "degree" } "beta" { "source-value" 90.20040736 "source-unit" "degree" } "gamma" { "source-value" 90.39035547 "source-unit" "degree" } }