{ "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" [ [ 0.094284 0.674092 0.565384 ] [ 0.333524 0.319207 0.38509 ] [ 0.324776 0.329582 0.885191 ] [ 0.234013 0.678167 0.062621 ] [ 0.67437 0.091363 0.064759 ] [ 0.328796 0.763876 0.439599 ] [ 0.671358 0.235596 0.564283 ] [ 0.343433 0.896652 0.93582 ] [ 0.765232 0.334307 0.936451 ] [ 0.669338 0.671092 0.614796 ] [ 0.906513 0.326037 0.435927 ] [ 0.897484 0.767371 0.939194 ] [ 0.021368 0.037418 0.002638 ] [ 0.001412 0.005325 0.507706 ] [ 0.436654 0.564815 0.24768 ] [ 0.565869 0.434747 0.75181 ] [ 0.432766 0.003379 0.744749 ] [ 0.564623 0.994681 0.253822 ] [ 0.002575 0.434758 0.246619 ] [ 0.997723 0.564164 0.750929 ] [ 0.08748 0.219206 0.838232 ] [ 0.216912 0.084687 0.33901 ] [ 0.092075 0.682584 0.34541 ] [ 0.336078 0.333595 0.128494 ] [ 0.335718 0.335114 0.62585 ] [ 0.227228 0.680138 0.844336 ] [ 0.319245 0.774222 0.657494 ] [ 0.681329 0.087224 0.847654 ] [ 0.312912 0.916375 0.152359 ] [ 0.680653 0.223838 0.342987 ] [ 0.775293 0.312523 0.158259 ] [ 0.668686 0.662639 0.371749 ] [ 0.660897 0.672817 0.873876 ] [ 0.910589 0.316179 0.650849 ] [ 0.778902 0.915631 0.658452 ] [ 0.914668 0.774568 0.16045 ] [ 0.987988 0.233295 0.558684 ] [ 0.077722 0.253097 0.340633 ] [ 0.230047 0.986056 0.059736 ] [ 0.253831 0.075791 0.84093 ] [ 0.101622 0.368827 0.835636 ] [ 0.188268 0.334414 0.175427 ] [ 0.104679 0.520362 0.332848 ] [ 0.00331 0.774504 0.07086 ] [ 0.077034 0.669051 0.846671 ] [ 0.337885 0.187453 0.674628 ] [ 0.369195 0.097821 0.330842 ] [ 0.187712 0.482942 0.663115 ] [ 0.33595 0.331028 0.021156 ] [ 0.336958 0.326906 0.517692 ] [ 0.327398 0.488948 0.163854 ] [ 0.517277 0.104865 0.833307 ] [ 0.485816 0.188479 0.170155 ] [ 0.262336 0.657096 0.337959 ] [ 0.214365 0.783916 0.750368 ] [ 0.229396 0.772121 0.56946 ] [ 0.23729 0.76636 0.931633 ] [ 0.368661 0.515255 0.832659 ] [ 0.485517 0.332209 0.661828 ] [ 0.338136 0.747677 0.162378 ] [ 0.518376 0.372384 0.328686 ] [ 0.654902 0.082993 0.341671 ] [ 0.197798 0.013153 0.239391 ] [ 0.210651 0.986187 0.419689 ] [ 0.788794 0.013464 0.577876 ] [ 0.336012 0.920079 0.658373 ] [ 0.482774 0.628463 0.666691 ] [ 0.667217 0.249305 0.847225 ] [ 0.519632 0.663034 0.334215 ] [ 0.61693 0.466682 0.171941 ] [ 0.776873 0.225461 0.0689 ] [ 0.766396 0.23037 0.430426 ] [ 0.789852 0.205978 0.250452 ] [ 0.748464 0.329854 0.66065 ] [ 0.515096 0.818519 0.823776 ] [ 0.466421 0.918728 0.166671 ] [ 0.666435 0.520581 0.838847 ] [ 0.642882 0.690796 0.980892 ] [ 0.667116 0.663401 0.479122 ] [ 0.819526 0.514381 0.332785 ] [ 0.627126 0.903007 0.664098 ] [ 0.66666 0.810449 0.325155 ] [ 0.911064 0.344634 0.160855 ] [ 0.014463 0.206537 0.738398 ] [ 0.988005 0.21035 0.918804 ] [ 0.890946 0.480601 0.664158 ] [ 0.809801 0.675043 0.835905 ] [ 0.906633 0.623095 0.172203 ] [ 0.750209 0.920081 0.162823 ] [ 0.762365 0.997363 0.938425 ] [ 0.790988 0.991061 0.758799 ] [ 0.920381 0.749266 0.657337 ] [ 0.016875 0.766705 0.436288 ] [ 0.00364 0.790191 0.253424 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "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" 9.83233395 "source-unit" "angstrom" } "b" { "source-value" 9.84751338 "source-unit" "angstrom" } "c" { "source-value" 13.89786372 "source-unit" "angstrom" } "alpha" { "source-value" 89.28067691 "source-unit" "degree" } "beta" { "source-value" 89.25480523 "source-unit" "degree" } "gamma" { "source-value" 60.2970626 "source-unit" "degree" } }