{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.13686 0.545641 0.174171 ] [ 0.86314 0.454359 0.825829 ] [ 0.182459 0.072518 0.132025 ] [ 0.817541 0.927482 0.867975 ] [ 0.153523 0.222336 0.541408 ] [ 0.315634 0.869436 0.770341 ] [ 0.370364 0.423486 0.797109 ] [ 0.629636 0.576514 0.202891 ] [ 0.684366 0.130564 0.229659 ] [ 0.846477 0.777664 0.458592 ] [ 0.0366 0.735074 0.351431 ] [ 0.148394 0.261291 0.33622 ] [ 0.140325 0.899734 0.908534 ] [ 0.196747 0.386101 0.927902 ] [ 0.241822 0.989064 0.580084 ] [ 0.337823 0.328881 0.609763 ] [ 0.336327 0.655054 0.711132 ] [ 0.412787 0.631046 0.149499 ] [ 0.49087 0.063908 0.172525 ] [ 0.50913 0.936092 0.827475 ] [ 0.587213 0.368954 0.850501 ] [ 0.663673 0.344946 0.288868 ] [ 0.662177 0.671119 0.390237 ] [ 0.758178 0.010936 0.419916 ] [ 0.803253 0.613899 0.072098 ] [ 0.859675 0.100266 0.091466 ] [ 0.851606 0.738709 0.66378 ] [ 0.9634 0.264926 0.648569 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "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" 6.59834311 "source-unit" "angstrom" } "b" { "source-value" 6.84113438 "source-unit" "angstrom" } "c" { "source-value" 7.42078168 "source-unit" "angstrom" } "alpha" { "source-value" 83.56951933 "source-unit" "degree" } "beta" { "source-value" 88.84840639 "source-unit" "degree" } "gamma" { "source-value" 83.35421392 "source-unit" "degree" } }