{ "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" [ [ 0.301133 0.917357 0.445357 ] [ 0.905069 0.329357 0.938887 ] [ 0.77259 0.315552 0.442468 ] [ 0.09374 0.672499 0.0562 ] [ 0.694641 0.079951 0.561821 ] [ 0.997914 0.001932 0.991666 ] [ 0.434167 0.569866 0.75236 ] [ 0.559582 0.434364 0.244217 ] [ 0.998002 0.568029 0.257415 ] [ 0.002327 0.43423 0.743191 ] [ 0.566431 0.993917 0.760857 ] [ 0.435734 0.003035 0.241376 ] [ 0.785809 0.916154 0.161842 ] [ 0.912478 0.777678 0.660513 ] [ 0.31821 0.913036 0.659624 ] [ 0.671721 0.657644 0.868918 ] [ 0.658286 0.667566 0.366412 ] [ 0.30401 0.778788 0.159499 ] [ 0.229988 0.684243 0.343501 ] [ 0.913189 0.318826 0.156557 ] [ 0.085666 0.685209 0.84143 ] [ 0.768317 0.320505 0.656809 ] [ 0.694597 0.222184 0.838701 ] [ 0.344449 0.328773 0.634578 ] [ 0.327015 0.339381 0.131296 ] [ 0.679706 0.089638 0.342591 ] [ 0.088519 0.22291 0.335795 ] [ 0.213537 0.085887 0.839549 ] [ 0.741714 0.017468 0.435293 ] [ 0.740117 0.919581 0.66708 ] [ 0.019036 0.763181 0.932572 ] [ 0.919816 0.740391 0.167653 ] [ 0.621039 0.920849 0.170048 ] [ 0.675176 0.808286 0.827454 ] [ 0.477729 0.904637 0.684889 ] [ 0.185787 0.007682 0.921114 ] [ 0.345637 0.913101 0.165255 ] [ 0.814193 0.660812 0.322905 ] [ 0.905041 0.621336 0.67844 ] [ 0.517186 0.819415 0.322289 ] [ 0.673668 0.651982 0.97259 ] [ 0.661356 0.664083 0.470008 ] [ 0.520161 0.667582 0.823766 ] [ 0.914468 0.473576 0.175158 ] [ 0.817461 0.507859 0.826617 ] [ 0.342342 0.744028 0.671065 ] [ 0.206075 0.7968 0.254007 ] [ 0.237976 0.763553 0.428493 ] [ 0.202982 0.792964 0.078553 ] [ 0.461464 0.618235 0.169237 ] [ 0.657481 0.521062 0.324228 ] [ 0.258959 0.652177 0.830041 ] [ 0.619589 0.479874 0.67642 ] [ 0.915532 0.34256 0.664443 ] [ 0.991304 0.798757 0.755453 ] [ 0.998145 0.77499 0.574655 ] [ 0.990576 0.230159 0.417609 ] [ 0.086431 0.655144 0.335546 ] [ 0.380307 0.524126 0.321677 ] [ 0.741098 0.349132 0.172436 ] [ 0.349768 0.47015 0.681929 ] [ 0.542062 0.383251 0.83293 ] [ 0.806692 0.199318 0.915689 ] [ 0.759894 0.247041 0.567327 ] [ 0.786927 0.200814 0.739842 ] [ 0.658775 0.2582 0.33396 ] [ 0.18284 0.490286 0.172602 ] [ 0.08423 0.52948 0.825444 ] [ 0.48011 0.330637 0.176822 ] [ 0.330213 0.342672 0.027797 ] [ 0.347284 0.330516 0.531115 ] [ 0.485639 0.17659 0.678105 ] [ 0.097337 0.377946 0.322062 ] [ 0.187253 0.338521 0.677114 ] [ 0.652772 0.087367 0.836238 ] [ 0.799839 0.990297 0.259592 ] [ 0.809083 0.995937 0.079681 ] [ 0.521055 0.096416 0.316517 ] [ 0.325192 0.189453 0.174172 ] [ 0.379201 0.077725 0.832824 ] [ 0.081332 0.26232 0.833656 ] [ 0.975238 0.245022 0.064358 ] [ 0.014393 0.200447 0.239868 ] [ 0.258455 0.079425 0.336432 ] [ 0.255562 0.987101 0.567564 ] [ 0.197515 0.012769 0.742035 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "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" "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" 9.71326881 "source-unit" "angstrom" } "b" { "source-value" 9.76674037 "source-unit" "angstrom" } "c" { "source-value" 14.30557872 "source-unit" "angstrom" } "alpha" { "source-value" 89.2033288 "source-unit" "degree" } "beta" { "source-value" 89.40519629 "source-unit" "degree" } "gamma" { "source-value" 60.37689023 "source-unit" "degree" } }