{ "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" [ [ 0.094378 0.321597 0.444168 ] [ 0.674586 0.767769 0.440508 ] [ 0.327535 0.655794 0.110597 ] [ 0.672407 0.909366 0.937544 ] [ 0.088001 0.768822 0.937431 ] [ 0.776332 0.093214 0.562236 ] [ 0.226614 0.915425 0.441785 ] [ 0.336509 0.104564 0.05536 ] [ 0.90932 0.681144 0.560957 ] [ 0.994172 0.036787 0.000238 ] [ 0.566731 0.000281 0.747827 ] [ 0.431706 0.00154 0.254165 ] [ 0.997977 0.431161 0.244632 ] [ 0.999285 0.562163 0.754904 ] [ 0.430636 0.431521 0.752894 ] [ 0.568742 0.561731 0.24693 ] [ 0.222543 0.306236 0.156562 ] [ 0.08965 0.318839 0.660478 ] [ 0.679132 0.764371 0.655978 ] [ 0.336892 0.668376 0.872436 ] [ 0.333367 0.665479 0.370412 ] [ 0.680638 0.90609 0.157672 ] [ 0.771197 0.087265 0.341135 ] [ 0.091411 0.774848 0.156485 ] [ 0.915164 0.222032 0.843228 ] [ 0.227717 0.90793 0.658311 ] [ 0.315234 0.088289 0.839802 ] [ 0.667128 0.336269 0.63025 ] [ 0.663852 0.330472 0.127005 ] [ 0.313864 0.232456 0.344545 ] [ 0.913473 0.680721 0.340036 ] [ 0.77387 0.692449 0.84172 ] [ 0.236243 0.246974 0.431173 ] [ 0.256014 0.339038 0.666671 ] [ 0.993952 0.199662 0.926721 ] [ 0.087143 0.341385 0.157834 ] [ 0.379092 0.470413 0.168222 ] [ 0.330862 0.51824 0.826642 ] [ 0.520087 0.61648 0.67668 ] [ 0.784513 0.797261 0.922598 ] [ 0.655805 0.736633 0.167705 ] [ 0.183327 0.516196 0.327359 ] [ 0.101792 0.47983 0.680414 ] [ 0.482749 0.667224 0.32553 ] [ 0.339678 0.66553 0.979654 ] [ 0.339874 0.665339 0.476513 ] [ 0.48999 0.814519 0.835708 ] [ 0.11124 0.627839 0.169624 ] [ 0.189119 0.676402 0.83699 ] [ 0.663402 0.914073 0.656553 ] [ 0.78992 0.998228 0.249154 ] [ 0.752579 0.996063 0.430533 ] [ 0.76604 0.981014 0.067966 ] [ 0.517547 0.892407 0.170221 ] [ 0.32754 0.814799 0.332961 ] [ 0.740565 0.084058 0.83519 ] [ 0.379089 0.898955 0.680386 ] [ 0.081208 0.740682 0.663178 ] [ 0.992336 0.201826 0.745288 ] [ 0.003336 0.245527 0.568642 ] [ 0.999963 0.762559 0.430001 ] [ 0.917923 0.251599 0.341791 ] [ 0.620458 0.097418 0.320143 ] [ 0.260152 0.923373 0.163977 ] [ 0.670732 0.185271 0.665486 ] [ 0.472095 0.092271 0.828325 ] [ 0.226774 0.005148 0.928887 ] [ 0.239364 0.989438 0.567525 ] [ 0.205872 0.999018 0.748353 ] [ 0.336677 0.086428 0.343651 ] [ 0.814584 0.334591 0.170759 ] [ 0.918419 0.380279 0.834833 ] [ 0.513742 0.184491 0.166175 ] [ 0.661112 0.340928 0.021989 ] [ 0.663673 0.343747 0.524407 ] [ 0.524026 0.339049 0.680923 ] [ 0.903151 0.521536 0.323954 ] [ 0.817378 0.485286 0.672654 ] [ 0.341094 0.257478 0.835164 ] [ 0.205675 0.207137 0.251699 ] [ 0.218347 0.20909 0.073158 ] [ 0.473985 0.38243 0.321591 ] [ 0.666168 0.479864 0.176955 ] [ 0.616285 0.536376 0.830794 ] [ 0.914367 0.660986 0.842558 ] [ 0.014723 0.779156 0.065923 ] [ 0.001321 0.790388 0.248558 ] [ 0.746008 0.663237 0.338209 ] [ 0.752985 0.750507 0.56501 ] [ 0.796471 0.786892 0.742582 ] ] } "species" { "source-value" [ "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" 9.79589272 "source-unit" "angstrom" } "b" { "source-value" 9.79916416 "source-unit" "angstrom" } "c" { "source-value" 14.0131337 "source-unit" "angstrom" } "alpha" { "source-value" 90.29498881 "source-unit" "degree" } "beta" { "source-value" 90.21185535 "source-unit" "degree" } "gamma" { "source-value" 119.98467496 "source-unit" "degree" } }