{ "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" [ [ 0.03177 0.781562 0.749819 ] [ 0.500259 0.000309 0.000481 ] [ 0.217402 0.250331 0.967933 ] [ 0.282445 0.749456 0.532099 ] [ 0.250399 0.967795 0.217923 ] [ 0.249615 0.467349 0.717296 ] [ 0.999544 0.000118 0.499958 ] [ 0.533107 0.282997 0.749637 ] [ 0.467222 0.717405 0.25022 ] [ 0.749868 0.532084 0.282476 ] [ 0.749933 0.032748 0.782127 ] [ 0.78258 0.749666 0.032046 ] [ 0.967697 0.218081 0.250112 ] [ 0.500167 0.499638 0.49992 ] [ 0.999845 0.499883 0.999414 ] [ 0.717415 0.250573 0.46778 ] [ 0.238436 0.511508 0.968792 ] [ 0.260446 0.72923 0.771798 ] [ 0.728505 0.957714 0.988587 ] [ 0.030844 0.760094 0.488615 ] [ 0.531419 0.542696 0.769537 ] [ 0.226856 0.738119 0.269501 ] [ 0.542681 0.769448 0.531282 ] [ 0.957398 0.988513 0.728363 ] [ 0.230574 0.468336 0.457369 ] [ 0.988872 0.726891 0.957449 ] [ 0.270896 0.228525 0.739748 ] [ 0.512972 0.970806 0.24199 ] [ 0.72883 0.771324 0.259845 ] [ 0.488675 0.031264 0.76011 ] [ 0.769395 0.529699 0.542249 ] [ 0.010851 0.273205 0.042371 ] [ 0.458548 0.230574 0.468634 ] [ 0.042716 0.011619 0.27193 ] [ 0.773001 0.26179 0.728903 ] [ 0.468527 0.457335 0.230429 ] [ 0.967687 0.239993 0.511324 ] [ 0.271434 0.042227 0.011317 ] [ 0.761703 0.488345 0.031181 ] [ 0.739467 0.270752 0.229433 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Ho" "Ho" "Ho" "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" 9.25748203 "source-unit" "angstrom" } "b" { "source-value" 9.25835042 "source-unit" "angstrom" } "c" { "source-value" 9.26007841 "source-unit" "angstrom" } "alpha" { "source-value" 109.47690425 "source-unit" "degree" } "beta" { "source-value" 109.46433281 "source-unit" "degree" } "gamma" { "source-value" 109.45713328 "source-unit" "degree" } }