{ "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" [ [ 0.106228 0.087924 0.976194 ] [ 0.609708 0.408728 0.026146 ] [ 0.917171 0.338852 0.536869 ] [ 0.219133 0.39018 0.449733 ] [ 0.394509 0.584802 0.972878 ] [ 0.587568 0.850859 0.04815 ] [ 0.091966 0.646079 0.954669 ] [ 0.893322 0.911206 0.030765 ] [ 0.579842 0.839487 0.535963 ] [ 0.280076 0.889747 0.449138 ] [ 0.919051 0.203523 0.324967 ] [ 0.209477 0.254858 0.175605 ] [ 0.715075 0.233359 0.827042 ] [ 0.428663 0.305976 0.666513 ] [ 0.578695 0.705026 0.32703 ] [ 0.286315 0.754501 0.174778 ] [ 0.784633 0.733168 0.82696 ] [ 0.07071 0.80429 0.66495 ] [ 0.448366 0.025586 0.245943 ] [ 0.707718 0.118954 0.110642 ] [ 0.9325 0.060595 0.760144 ] [ 0.154165 0.130305 0.575455 ] [ 0.641279 0.377488 0.430323 ] [ 0.429207 0.43803 0.242173 ] [ 0.049947 0.521301 0.243023 ] [ 0.211141 0.378631 0.882775 ] [ 0.793357 0.615484 0.108956 ] [ 0.939983 0.46817 0.757145 ] [ 0.567983 0.560677 0.758276 ] [ 0.345975 0.629368 0.575753 ] [ 0.854333 0.88042 0.424559 ] [ 0.072055 0.937749 0.243119 ] [ 0.292693 0.882263 0.885964 ] [ 0.55947 0.970342 0.758221 ] [ 0.421879 0.01587 0.378019 ] [ 0.850447 0.036269 0.430134 ] [ 0.081563 0.086559 0.27018 ] [ 0.343359 0.108357 0.157505 ] [ 0.590229 0.106054 0.212872 ] [ 0.829001 0.17472 0.168648 ] [ 0.654255 0.226819 0.997126 ] [ 0.261121 0.017574 0.919182 ] [ 0.076052 0.118619 0.70493 ] [ 0.935874 0.058111 0.894172 ] [ 0.55805 0.118788 0.790464 ] [ 0.289555 0.200708 0.59136 ] [ 0.823139 0.167535 0.699535 ] [ 0.065975 0.227241 0.480628 ] [ 0.560638 0.288931 0.53654 ] [ 0.308302 0.345658 0.298411 ] [ 0.784054 0.318101 0.415768 ] [ 0.035669 0.366549 0.219511 ] [ 0.565203 0.366666 0.305507 ] [ 0.441895 0.437792 0.108937 ] [ 0.768101 0.478679 0.076324 ] [ 0.163556 0.270161 0.995095 ] [ 0.328679 0.321978 0.815577 ] [ 0.087545 0.397941 0.785857 ] [ 0.584375 0.413843 0.727666 ] [ 0.839708 0.378531 0.847611 ] [ 0.086233 0.522159 0.371403 ] [ 0.335092 0.480904 0.556244 ] [ 0.647339 0.531647 0.435269 ] [ 0.915065 0.475522 0.626066 ] [ 0.142747 0.60434 0.142722 ] [ 0.417484 0.58578 0.270773 ] [ 0.901986 0.593928 0.218867 ] [ 0.673604 0.68928 0.156687 ] [ 0.862312 0.721871 0.997517 ] [ 0.233328 0.518489 0.914908 ] [ 0.564365 0.559147 0.892208 ] [ 0.424079 0.620375 0.704584 ] [ 0.946879 0.616385 0.794436 ] [ 0.207636 0.694588 0.59287 ] [ 0.678748 0.666867 0.698843 ] [ 0.43224 0.727807 0.481335 ] [ 0.931563 0.792755 0.532377 ] [ 0.189243 0.845942 0.304223 ] [ 0.710639 0.82506 0.409791 ] [ 0.467461 0.87681 0.212204 ] [ 0.063041 0.934032 0.110033 ] [ 0.930891 0.869889 0.300393 ] [ 0.725649 0.978732 0.07777 ] [ 0.358371 0.775226 0.993647 ] [ 0.173549 0.809497 0.831062 ] [ 0.407199 0.909454 0.779192 ] [ 0.649823 0.87361 0.857607 ] [ 0.91464 0.912325 0.731386 ] [ 0.167875 0.981819 0.556765 ] [ 0.596483 0.96836 0.63115 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 9.79439241 "source-unit" "angstrom" } "b" { "source-value" 9.81276294 "source-unit" "angstrom" } "c" { "source-value" 11.28100727 "source-unit" "angstrom" } "alpha" { "source-value" 77.88876572 "source-unit" "degree" } "beta" { "source-value" 89.83944817 "source-unit" "degree" } "gamma" { "source-value" 89.83682257 "source-unit" "degree" } }