{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.391017 0.861857 0.596616 ] [ 0.312138 0.608981 0.319731 ] [ 0.305033 0.610842 0.819928 ] [ 0.859338 0.688541 0.945376 ] [ 0.687862 0.391019 0.680269 ] [ 0.140662 0.311459 0.054624 ] [ 0.608983 0.138143 0.403384 ] [ 0.694967 0.389158 0.180072 ] [ 0.995647 0.994354 0.748802 ] [ 0.387482 0.857202 0.094644 ] [ 0.004353 0.005646 0.251198 ] [ 0.856999 0.684632 0.443886 ] [ 0.143001 0.315368 0.556114 ] [ 0.612518 0.142798 0.905356 ] [ 0.320737 0.942144 0.286646 ] [ 0.047558 0.911723 0.588324 ] [ 0.321128 0.954628 0.794779 ] [ 0.067454 0.919047 0.091258 ] [ 0.584129 0.820285 0.462912 ] [ 0.920762 0.685027 0.285964 ] [ 0.173931 0.57583 0.465028 ] [ 0.57174 0.827559 0.963032 ] [ 0.921752 0.679331 0.777952 ] [ 0.410465 0.567422 0.659067 ] [ 0.182672 0.589657 0.967462 ] [ 0.589535 0.432578 0.340933 ] [ 0.42422 0.579934 0.159475 ] [ 0.826069 0.42417 0.534972 ] [ 0.57578 0.420066 0.840525 ] [ 0.079238 0.314973 0.714036 ] [ 0.415871 0.179715 0.537088 ] [ 0.817328 0.410343 0.032538 ] [ 0.078248 0.320669 0.222048 ] [ 0.42826 0.172441 0.036968 ] [ 0.952442 0.088277 0.411676 ] [ 0.679263 0.057856 0.713354 ] [ 0.932546 0.080953 0.908742 ] [ 0.678872 0.045372 0.205221 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "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" 6.34368275 "source-unit" "angstrom" } "b" { "source-value" 6.34642823 "source-unit" "angstrom" } "c" { "source-value" 12.68640705 "source-unit" "angstrom" } "alpha" { "source-value" 99.15518353 "source-unit" "degree" } "beta" { "source-value" 99.42754458 "source-unit" "degree" } "gamma" { "source-value" 99.42869089 "source-unit" "degree" } }