{ "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" [ [ 0.316036 0.509511 0.578988 ] [ 0.360526 0.531052 0.186423 ] [ 0.651142 0.470995 0.833892 ] [ 0.695109 0.477013 0.392775 ] [ 0.661962 0.145418 0.888702 ] [ 0.855027 0.961652 0.087456 ] [ 0.829438 0.657695 0.614624 ] [ 0.855924 0.976373 0.678843 ] [ 0.145879 0.680427 0.877977 ] [ 0.346161 0.176889 0.631061 ] [ 0.637197 0.821272 0.368707 ] [ 0.874425 0.29342 0.127112 ] [ 0.178091 0.686695 0.387751 ] [ 0.162717 0.342861 0.869226 ] [ 0.320859 0.199277 0.112929 ] [ 0.339996 0.838768 0.627434 ] [ 0.653445 0.15761 0.371036 ] [ 0.659807 0.817002 0.873579 ] [ 0.844949 0.642899 0.132536 ] [ 0.824724 0.322613 0.627392 ] [ 0.085168 0.662504 0.067239 ] [ 0.092511 0.333092 0.611738 ] [ 0.105187 0.111104 0.11078 ] [ 0.226349 0.981979 0.642445 ] [ 0.195753 0.71494 0.666587 ] [ 0.239648 0.347873 0.134585 ] [ 0.277256 0.830081 0.36731 ] [ 0.321273 0.226234 0.826177 ] [ 0.273573 0.486575 0.856926 ] [ 0.352582 0.569982 0.385879 ] [ 0.432567 0.18423 0.448557 ] [ 0.393167 0.822075 0.893763 ] [ 0.579068 0.160393 0.089339 ] [ 0.595831 0.826992 0.577809 ] [ 0.671456 0.448178 0.619244 ] [ 0.744208 0.502368 0.148399 ] [ 0.710797 0.767895 0.181959 ] [ 0.720051 0.181684 0.656444 ] [ 0.779976 0.675014 0.847166 ] [ 0.785626 0.27696 0.315328 ] [ 0.744253 0.012875 0.348494 ] [ 0.806362 0.938566 0.876013 ] [ 0.911802 0.668534 0.410665 ] [ 0.90912 0.328231 0.918705 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.17088526 "source-unit" "angstrom" } "b" { "source-value" 8.95214126 "source-unit" "angstrom" } "c" { "source-value" 9.99448311 "source-unit" "angstrom" } "alpha" { "source-value" 89.5097231 "source-unit" "degree" } "beta" { "source-value" 87.31626501 "source-unit" "degree" } "gamma" { "source-value" 88.89963524 "source-unit" "degree" } }