{ "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" [ [ 0.943181 0.8123 0.467588 ] [ 0.819724 0.472396 0.953694 ] [ 0.46801 0.460456 0.470223 ] [ 0.473049 0.953058 0.820458 ] [ 0.831999 0.080273 0.745505 ] [ 0.74563 0.831621 0.081013 ] [ 0.587371 0.385421 0.186456 ] [ 0.380392 0.190832 0.583719 ] [ 0.193319 0.588972 0.394396 ] [ 0.080366 0.745032 0.831067 ] [ 0.938876 0.050876 0.648001 ] [ 0.896636 0.901185 0.251691 ] [ 0.903394 0.25129 0.893592 ] [ 0.933066 0.690963 0.658299 ] [ 0.619348 0.31455 0.027204 ] [ 0.647195 0.576402 0.290229 ] [ 0.489855 0.261868 0.240039 ] [ 0.649352 0.941494 0.055712 ] [ 0.571272 0.304649 0.636241 ] [ 0.660077 0.936028 0.694348 ] [ 0.692817 0.661456 0.934978 ] [ 0.321271 0.034145 0.618154 ] [ 0.258967 0.49419 0.277609 ] [ 0.252613 0.243837 0.488673 ] [ 0.293076 0.64633 0.584841 ] [ 0.034333 0.615999 0.314218 ] [ 0.053283 0.648215 0.939194 ] [ 0.250034 0.894689 0.901319 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "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" 7.64141161 "source-unit" "angstrom" } "b" { "source-value" 7.65133096 "source-unit" "angstrom" } "c" { "source-value" 7.66498131 "source-unit" "angstrom" } "alpha" { "source-value" 106.95864456 "source-unit" "degree" } "beta" { "source-value" 107.5801912 "source-unit" "degree" } "gamma" { "source-value" 106.83282267 "source-unit" "degree" } }