{ "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" [ [ 0.001736 0.32768 0.120885 ] [ 0.499147 0.820939 0.121836 ] [ 0.501358 0.181906 0.379382 ] [ 0.498712 0.817552 0.628381 ] [ 0.999814 0.681004 0.871995 ] [ 0.002226 0.327114 0.628073 ] [ 0.996549 0.67247 0.377914 ] [ 0.502027 0.187096 0.871293 ] [ 0.245503 0.386767 0.954433 ] [ 0.21693 0.389592 0.470083 ] [ 0.224841 0.608705 0.21854 ] [ 0.207259 0.609753 0.714191 ] [ 0.258226 0.884117 0.952374 ] [ 0.272702 0.121751 0.709464 ] [ 0.280998 0.106664 0.208491 ] [ 0.266492 0.881593 0.456606 ] [ 0.731589 0.882919 0.796915 ] [ 0.742714 0.885521 0.294655 ] [ 0.736545 0.114623 0.549361 ] [ 0.71034 0.113842 0.032927 ] [ 0.787993 0.613915 0.031039 ] [ 0.778109 0.607278 0.535413 ] [ 0.77381 0.396898 0.288289 ] [ 0.764379 0.380305 0.787459 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Ti" "Ti" "Ti" "Ti" "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" 4.77077732 "source-unit" "angstrom" } "b" { "source-value" 5.68478557 "source-unit" "angstrom" } "c" { "source-value" 10.17510622 "source-unit" "angstrom" } "alpha" { "source-value" 90.14598669 "source-unit" "degree" } "beta" { "source-value" 90.94090836 "source-unit" "degree" } "gamma" { "source-value" 90.05634282 "source-unit" "degree" } }