{ "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" [ [ 0.24344 0.606034 0.094336 ] [ 0.248193 0.911324 0.589188 ] [ 0.74475 0.093043 0.408607 ] [ 0.752836 0.395158 0.89866 ] [ 0.025336 0.500312 0.52101 ] [ 0.257286 0.604287 0.652766 ] [ 0.706125 0.414947 0.443984 ] [ 0.750557 0.073656 0.962413 ] [ 0.240215 0.387493 0.332604 ] [ 0.234349 0.243395 0.511672 ] [ 0.237225 0.574743 0.84403 ] [ 0.244034 0.93748 0.330796 ] [ 0.250583 0.259237 0.997146 ] [ 0.253499 0.11472 0.823946 ] [ 0.494214 0.342882 0.668251 ] [ 0.491833 0.163651 0.171037 ] [ 0.494289 0.664634 0.335444 ] [ 0.504134 0.845515 0.823292 ] [ 0.735339 0.766661 0.514791 ] [ 0.738111 0.731728 0.000754 ] [ 0.745986 0.433669 0.169785 ] [ 0.74785 0.886189 0.165241 ] [ 0.762326 0.59137 0.675807 ] [ 0.770561 0.096382 0.664486 ] [ 0.994109 0.671896 0.332883 ] [ 0.994507 0.163803 0.168544 ] [ 0.00237 0.844636 0.828618 ] [ 0.998273 0.007033 0.748917 ] [ 0.999429 0.151026 0.576101 ] [ 0.005964 0.529548 0.75812 ] [ 0.012605 0.678316 0.916081 ] [ 0.017994 0.330346 0.421039 ] [ 0.03362 0.179704 0.91728 ] [ 0.237909 0.24025 0.246847 ] [ 0.248945 0.748928 0.263678 ] [ 0.239649 0.568662 0.395376 ] [ 0.246129 0.108748 0.09036 ] [ 0.245252 0.435575 0.9321 ] [ 0.249949 0.061367 0.422602 ] [ 0.253868 0.750022 0.761342 ] [ 0.250925 0.927237 0.89078 ] [ 0.258163 0.396623 0.58239 ] [ 0.277153 0.25563 0.749939 ] [ 0.452864 0.312384 0.409467 ] [ 0.46897 0.178683 0.919889 ] [ 0.491364 0.507409 0.748512 ] [ 0.491573 0.998546 0.251222 ] [ 0.492512 0.8199 0.412826 ] [ 0.498645 0.496253 0.250288 ] [ 0.498866 0.322967 0.090702 ] [ 0.499394 0.67232 0.912993 ] [ 0.503076 0.003387 0.748753 ] [ 0.502452 0.176278 0.582891 ] [ 0.528974 0.689184 0.593582 ] [ 0.53366 0.813856 0.085802 ] [ 0.732367 0.442189 0.599315 ] [ 0.735231 0.244839 0.732239 ] [ 0.7487 0.601637 0.414558 ] [ 0.740605 0.931502 0.568 ] [ 0.744285 0.070238 0.104468 ] [ 0.743206 0.250791 0.237945 ] [ 0.743328 0.739574 0.256156 ] [ 0.746957 0.561195 0.070306 ] [ 0.74989 0.893409 0.912815 ] [ 0.755207 0.763785 0.755413 ] [ 0.956363 0.814797 0.086296 ] [ 0.971574 0.674795 0.585482 ] [ 0.985967 0.49642 0.247485 ] [ 0.986381 0.321915 0.089347 ] [ 0.997595 0.997619 0.251324 ] [ 0.00244 0.823575 0.409968 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 5.88236288 "source-unit" "angstrom" } "b" { "source-value" 10.06909304 "source-unit" "angstrom" } "c" { "source-value" 14.17872696 "source-unit" "angstrom" } "alpha" { "source-value" 89.71125888 "source-unit" "degree" } "beta" { "source-value" 89.66452533 "source-unit" "degree" } "gamma" { "source-value" 89.7857589 "source-unit" "degree" } }