{ "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" [ [ 0.515633 0.132898 0.940378 ] [ 0.501877 0.329259 0.838576 ] [ 0.999806 0.663138 0.668441 ] [ 0.731925 0.774843 0.867206 ] [ 0.738269 0.547002 0.971753 ] [ 0.279644 0.691518 0.914423 ] [ 0.499239 0.99764 0.501457 ] [ 0.241952 0.10104 0.698914 ] [ 0.256552 0.882581 0.811667 ] [ 0.746555 0.006634 0.753883 ] [ 0.497479 0.448192 0.274178 ] [ 0.740269 0.429935 0.531699 ] [ 0.747226 0.208912 0.643547 ] [ 0.249873 0.336126 0.588268 ] [ 0.979336 0.772977 0.110702 ] [ 0.27237 0.783139 0.355189 ] [ 0.256266 0.54945 0.477293 ] [ 0.729214 0.662195 0.420311 ] [ 0.743089 0.105727 0.185841 ] [ 0.74458 0.903211 0.296982 ] [ 0.259131 0.019555 0.24266 ] [ 0.742624 0.303985 0.081743 ] [ 0.262712 0.207437 0.135784 ] [ 0.499663 0.90317 0.05571 ] [ 0.502036 0.558721 0.72205 ] [ 0.004314 0.449888 0.778009 ] [ 0.000089 0.886992 0.555671 ] [ 0.501218 0.77797 0.611072 ] [ 0.500239 0.222057 0.38864 ] [ 0.000212 0.106881 0.445361 ] [ 0.999358 0.337687 0.331931 ] [ 0.995145 0.557373 0.221113 ] [ 0.492661 0.666763 0.163981 ] [ 0.005752 0.231744 0.88904 ] [ 0.998019 0.002848 0.000833 ] [ 0.257185 0.448559 0.029184 ] [ 0.112392 0.321389 0.96299 ] [ 0.644373 0.449179 0.902687 ] [ 0.113187 0.548601 0.846353 ] [ 0.636856 0.663519 0.787451 ] [ 0.13525 0.760971 0.737876 ] [ 0.611383 0.876557 0.67918 ] [ 0.133381 0.991536 0.621503 ] [ 0.634746 0.090853 0.571243 ] [ 0.110158 0.204263 0.513058 ] [ 0.631893 0.321712 0.456199 ] [ 0.896503 0.913624 0.930377 ] [ 0.354187 0.769809 0.990727 ] [ 0.632938 0.535038 0.34927 ] [ 0.124689 0.423604 0.40281 ] [ 0.105491 0.65262 0.29206 ] [ 0.367733 0.014064 0.875915 ] [ 0.373906 0.251133 0.761626 ] [ 0.895794 0.139053 0.820746 ] [ 0.623489 0.771837 0.231676 ] [ 0.124507 0.863369 0.180833 ] [ 0.612442 0.972592 0.1257 ] [ 0.869239 0.34007 0.710845 ] [ 0.869907 0.579183 0.594959 ] [ 0.388959 0.464655 0.652098 ] [ 0.11907 0.12759 0.066346 ] [ 0.616418 0.20489 0.01232 ] [ 0.367621 0.670491 0.543906 ] [ 0.366424 0.908227 0.428124 ] [ 0.890379 0.792335 0.485424 ] [ 0.875901 0.019501 0.37517 ] [ 0.888217 0.240094 0.264636 ] [ 0.368882 0.123997 0.321384 ] [ 0.357514 0.351409 0.206986 ] [ 0.392633 0.506376 0.099403 ] [ 0.860767 0.45242 0.155889 ] [ 0.901258 0.675394 0.038739 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.19563655752 "source-unit" "angstrom" } "b" { "source-value" 5.20071869328 "source-unit" "angstrom" } "c" { "source-value" 25.9340036771 "source-unit" "angstrom" } "alpha" { "source-value" 85.5613397243 "source-unit" "degree" } "beta" { "source-value" 86.6430960826 "source-unit" "degree" } "gamma" { "source-value" 79.5537176375 "source-unit" "degree" } }