{ "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" [ [ 0.095081 0.322751 0.445537 ] [ 0.688395 0.771124 0.439168 ] [ 0.666221 0.90142 0.940657 ] [ 0.092728 0.762822 0.938216 ] [ 0.774673 0.090433 0.561306 ] [ 0.222079 0.915341 0.444401 ] [ 0.330502 0.099971 0.055492 ] [ 0.98993 0.037829 0.998998 ] [ 0.566785 0.998502 0.749211 ] [ 0.432603 0.000188 0.252888 ] [ 0.999345 0.43476 0.244243 ] [ 0.99774 0.563161 0.750906 ] [ 0.431055 0.436273 0.753531 ] [ 0.565725 0.560819 0.245962 ] [ 0.223131 0.305018 0.159273 ] [ 0.088676 0.316548 0.660536 ] [ 0.681513 0.766017 0.653961 ] [ 0.334056 0.668611 0.871764 ] [ 0.331937 0.663392 0.367906 ] [ 0.684651 0.910654 0.158517 ] [ 0.7726 0.091576 0.339235 ] [ 0.086879 0.773722 0.15487 ] [ 0.915354 0.222265 0.842669 ] [ 0.227635 0.908083 0.660346 ] [ 0.314557 0.089131 0.83963 ] [ 0.664735 0.332826 0.632114 ] [ 0.665148 0.331629 0.129552 ] [ 0.315254 0.231384 0.344986 ] [ 0.914037 0.685763 0.337871 ] [ 0.776861 0.69479 0.838436 ] [ 0.234452 0.244544 0.429665 ] [ 0.256842 0.341702 0.665841 ] [ 0.996301 0.203424 0.925229 ] [ 0.086285 0.342264 0.165512 ] [ 0.383091 0.462546 0.169541 ] [ 0.328355 0.517787 0.824571 ] [ 0.520946 0.618379 0.679352 ] [ 0.792569 0.802831 0.917669 ] [ 0.654864 0.739447 0.171872 ] [ 0.182101 0.514463 0.323998 ] [ 0.096483 0.477277 0.680495 ] [ 0.481034 0.663738 0.324495 ] [ 0.331664 0.66508 0.976722 ] [ 0.330815 0.656593 0.472839 ] [ 0.488698 0.812626 0.833321 ] [ 0.091742 0.617894 0.172994 ] [ 0.185738 0.674924 0.831525 ] [ 0.665226 0.916452 0.660502 ] [ 0.795482 0.004105 0.248827 ] [ 0.760101 0.002948 0.428168 ] [ 0.771083 0.97815 0.06867 ] [ 0.529925 0.912705 0.170969 ] [ 0.329587 0.813899 0.330281 ] [ 0.740728 0.084973 0.836538 ] [ 0.380478 0.900641 0.680842 ] [ 0.083895 0.738685 0.671679 ] [ 0.992451 0.201391 0.745454 ] [ 0.00198 0.245276 0.569952 ] [ 0.008519 0.773122 0.421211 ] [ 0.92062 0.258549 0.338797 ] [ 0.62185 0.102622 0.320969 ] [ 0.25616 0.917654 0.165034 ] [ 0.668678 0.182343 0.667169 ] [ 0.470764 0.090302 0.829232 ] [ 0.22384 0.006327 0.927485 ] [ 0.233378 0.983765 0.569594 ] [ 0.206581 0.00181 0.748125 ] [ 0.338363 0.085222 0.343788 ] [ 0.813524 0.329792 0.175344 ] [ 0.921047 0.383015 0.831362 ] [ 0.511335 0.186679 0.166767 ] [ 0.672502 0.343157 0.025407 ] [ 0.672859 0.344898 0.527969 ] [ 0.52469 0.34043 0.680837 ] [ 0.908536 0.525712 0.319669 ] [ 0.817718 0.475935 0.682091 ] [ 0.34196 0.259439 0.833647 ] [ 0.206141 0.205177 0.252448 ] [ 0.209177 0.205884 0.075474 ] [ 0.475737 0.381754 0.322496 ] [ 0.670756 0.482487 0.177613 ] [ 0.616797 0.538672 0.831016 ] [ 0.91551 0.658235 0.840326 ] [ 0.015603 0.775711 0.062756 ] [ 0.989189 0.787244 0.241783 ] [ 0.743377 0.65941 0.338486 ] [ 0.747176 0.753234 0.56246 ] [ 0.799273 0.784558 0.739254 ] ] } "species" { "source-value" [ "Li" "Li" "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" 9.75970094 "source-unit" "angstrom" } "b" { "source-value" 9.77116264 "source-unit" "angstrom" } "c" { "source-value" 14.15848648 "source-unit" "angstrom" } "alpha" { "source-value" 90.21434643 "source-unit" "degree" } "beta" { "source-value" 90.02953622 "source-unit" "degree" } "gamma" { "source-value" 119.85808434 "source-unit" "degree" } }