{ "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" [ [ 0.989337 0.490822 0.000726 ] [ 0.534392 0.748806 0.291713 ] [ 0.250684 0.213141 0.965338 ] [ 0.246415 0.720512 0.471747 ] [ 0.952497 0.238462 0.209905 ] [ 0.497783 0.000037 0.999402 ] [ 0.510668 0.503226 0.499449 ] [ 0.719147 0.463252 0.259606 ] [ 0.2207 0.976346 0.25995 ] [ 0.007828 0.011638 0.511115 ] [ 0.292891 0.532653 0.747083 ] [ 0.773391 0.02532 0.736934 ] [ 0.042636 0.760421 0.786695 ] [ 0.752233 0.790215 0.032982 ] [ 0.748081 0.283293 0.535225 ] [ 0.46592 0.251696 0.70759 ] [ 0.967247 0.514103 0.236829 ] [ 0.260844 0.766947 0.728102 ] [ 0.524602 0.769484 0.539352 ] [ 0.013053 0.044712 0.271653 ] [ 0.273226 0.011172 0.046179 ] [ 0.45506 0.464348 0.224552 ] [ 0.987222 0.955773 0.727816 ] [ 0.241495 0.965708 0.511352 ] [ 0.547858 0.54108 0.774102 ] [ 0.468039 0.229732 0.455961 ] [ 0.727429 0.986918 0.95362 ] [ 0.735033 0.225504 0.268927 ] [ 0.77741 0.547301 0.536113 ] [ 0.226384 0.275923 0.740419 ] [ 0.756904 0.030324 0.482101 ] [ 0.731685 0.266909 0.779663 ] [ 0.954946 0.722103 0.990778 ] [ 0.491379 0.763878 0.037632 ] [ 0.048857 0.277347 0.012992 ] [ 0.272218 0.735363 0.214328 ] [ 0.221972 0.447328 0.466136 ] [ 0.766653 0.724535 0.254432 ] [ 0.039202 0.493439 0.771148 ] [ 0.50668 0.230225 0.960354 ] ] } "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" 8.67821868 "source-unit" "angstrom" } "b" { "source-value" 8.74673347 "source-unit" "angstrom" } "c" { "source-value" 8.75444045 "source-unit" "angstrom" } "alpha" { "source-value" 109.67206586 "source-unit" "degree" } "beta" { "source-value" 109.33319135 "source-unit" "degree" } "gamma" { "source-value" 109.16305278 "source-unit" "degree" } }