{ "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" [ [ 0.394069 0.540087 0.838521 ] [ 0.097287 0.966655 0.666562 ] [ 0.902713 0.033345 0.333438 ] [ 0.605931 0.459913 0.161479 ] [ 0.776152 0.637503 0.616309 ] [ 0.223848 0.362497 0.383691 ] [ 0.718649 0.862688 0.885136 ] [ 0.281351 0.137312 0.114864 ] [ 0.056565 0.209084 0.87229 ] [ 0.439225 0.294647 0.63296 ] [ 0.560775 0.705353 0.36704 ] [ 0.943435 0.790916 0.12771 ] [ 0.799002 0.474437 0.845921 ] [ 0.295104 0.2159 0.912172 ] [ 0.080113 0.945956 0.85413 ] [ 0.696293 0.034526 0.661397 ] [ 0.403537 0.563313 0.651663 ] [ 0.208636 0.282585 0.588403 ] [ 0.791364 0.717415 0.411597 ] [ 0.596463 0.436687 0.348337 ] [ 0.303707 0.965474 0.338603 ] [ 0.919887 0.054044 0.14587 ] [ 0.704896 0.7841 0.087828 ] [ 0.200998 0.525563 0.154079 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "B" "B" "B" "B" "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" 5.15604817 "source-unit" "angstrom" } "b" { "source-value" 5.22156491 "source-unit" "angstrom" } "c" { "source-value" 11.07919744 "source-unit" "angstrom" } "alpha" { "source-value" 77.1380466 "source-unit" "degree" } "beta" { "source-value" 78.96327061 "source-unit" "degree" } "gamma" { "source-value" 60.98910999 "source-unit" "degree" } }