{ "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" [ [ 0.488686 0.490857 0.501149 ] [ 0.788516 0.536785 0.24325 ] [ 0.52948 0.75047 0.279785 ] [ 0.031382 0.743768 0.789734 ] [ 0.704553 0.963964 0.749319 ] [ 0.747293 0.714624 0.972862 ] [ 0.748375 0.21497 0.466355 ] [ 0.251392 0.292306 0.033894 ] [ 0.008465 0.006088 0.496142 ] [ 0.508749 0.998624 0.000783 ] [ 0.255662 0.786658 0.530671 ] [ 0.000101 0.510686 0.002462 ] [ 0.289014 0.03662 0.255493 ] [ 0.465418 0.251116 0.715442 ] [ 0.974379 0.250211 0.220311 ] [ 0.212754 0.456026 0.749632 ] [ 0.228808 0.261718 0.266853 ] [ 0.460938 0.729956 0.488929 ] [ 0.493453 0.956836 0.227061 ] [ 0.042233 0.529638 0.274749 ] [ 0.546869 0.275487 0.513651 ] [ 0.7605 0.770692 0.23311 ] [ 0.955994 0.47017 0.72677 ] [ 0.005487 0.233732 0.461455 ] [ 0.031855 0.77419 0.041995 ] [ 0.74116 0.96886 0.009995 ] [ 0.51158 0.044468 0.774902 ] [ 0.223304 0.982259 0.450143 ] [ 0.233947 0.222821 0.771548 ] [ 0.272504 0.54199 0.037739 ] [ 0.726635 0.452625 0.967818 ] [ 0.463441 0.518658 0.738112 ] [ 0.717602 0.272033 0.235617 ] [ 0.774576 0.736268 0.720082 ] [ 0.536085 0.47946 0.258338 ] [ 0.965088 0.22278 0.94548 ] [ 0.263639 0.033096 0.986023 ] [ 0.777517 0.020461 0.554887 ] [ 0.271938 0.733967 0.766498 ] [ 0.990627 0.764057 0.540956 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 8.71948008 "source-unit" "angstrom" } "b" { "source-value" 8.72188408 "source-unit" "angstrom" } "c" { "source-value" 8.72730299 "source-unit" "angstrom" } "alpha" { "source-value" 109.49246454 "source-unit" "degree" } "beta" { "source-value" 109.56109536 "source-unit" "degree" } "gamma" { "source-value" 109.18316465 "source-unit" "degree" } }