{ "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" [ [ 0.253412 0.561293 0.969306 ] [ 0.746588 0.438707 0.030694 ] [ 0.896716 0.236874 0.669219 ] [ 0.103284 0.763126 0.330781 ] [ 0.461739 0.598653 0.666661 ] [ 0.538261 0.401347 0.333339 ] [ 0.256248 0.057309 0.971838 ] [ 0.743752 0.942691 0.028162 ] [ 0.460527 0.176352 0.721563 ] [ 0.539473 0.823648 0.278437 ] [ 0.975253 0.69013 0.662433 ] [ 0.024747 0.30987 0.337567 ] [ 0.750808 0.178965 0.794622 ] [ 0.249192 0.821035 0.205378 ] [ 0.493161 0.101428 0.915789 ] [ 0.506839 0.898572 0.084211 ] [ 0.549441 0.356639 0.557128 ] [ 0.450559 0.643361 0.442872 ] [ 0.458375 0.444851 0.817853 ] [ 0.541625 0.555149 0.182147 ] [ 0.14465 0.190955 0.805761 ] [ 0.85535 0.809045 0.194239 ] [ 0.187119 0.803838 0.841565 ] [ 0.812881 0.196162 0.158435 ] [ 0.176681 0.54264 0.574455 ] [ 0.823319 0.45736 0.425545 ] [ 0.933756 0.510673 0.769418 ] [ 0.066244 0.489327 0.230582 ] ] } "species" { "source-value" [ "Na" "Na" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 7.3526168432 "source-unit" "angstrom" } "b" { "source-value" 7.51141377837 "source-unit" "angstrom" } "c" { "source-value" 9.81600567028 "source-unit" "angstrom" } "alpha" { "source-value" 105.819457121 "source-unit" "degree" } "beta" { "source-value" 105.924464241 "source-unit" "degree" } "gamma" { "source-value" 85.9425404116 "source-unit" "degree" } }