{ "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" [ [ 0.996812 0.496264 0.002832 ] [ 0.498418 0.002627 0.497387 ] [ 0.108834 0.259314 0.662895 ] [ 0.373115 0.229471 0.142605 ] [ 0.620385 0.763177 0.854502 ] [ 0.889768 0.741822 0.336611 ] [ 0.951217 0.980886 0.98667 ] [ 0.388307 0.446724 0.545928 ] [ 0.6093 0.552519 0.45169 ] [ 0.11451 0.848326 0.446494 ] [ 0.004699 0.294347 0.831381 ] [ 0.185097 0.367735 0.172821 ] [ 0.212458 0.450161 0.585389 ] [ 0.385383 0.661937 0.957157 ] [ 0.530402 0.798408 0.680104 ] [ 0.229986 0.062028 0.056469 ] [ 0.347931 0.169216 0.673463 ] [ 0.651059 0.831627 0.324515 ] [ 0.75532 0.940676 0.941393 ] [ 0.467599 0.202254 0.321206 ] [ 0.617415 0.333182 0.04271 ] [ 0.788407 0.5517 0.416118 ] [ 0.825391 0.639349 0.82982 ] [ 0.991988 0.704912 0.167802 ] [ 0.885077 0.153237 0.552141 ] ] } "species" { "source-value" [ "Te" "Te" "P" "P" "P" "P" "H" "H" "H" "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" 5.13990521 "source-unit" "angstrom" } "b" { "source-value" 7.70120424 "source-unit" "angstrom" } "c" { "source-value" 8.23908675 "source-unit" "angstrom" } "alpha" { "source-value" 90.7627238 "source-unit" "degree" } "beta" { "source-value" 91.24423392 "source-unit" "degree" } "gamma" { "source-value" 103.10562512 "source-unit" "degree" } }