{ "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" [ [ 0.692911 0.790032 0.864366 ] [ 0.307089 0.209968 0.135634 ] [ 1 0 0.5 ] [ 0 0 0 ] [ 0.297506 0.219319 0.592269 ] [ 0.702494 0.780681 0.407731 ] [ 0.265671 0.732027 0.237012 ] [ 0.238594 0.640333 0.791822 ] [ 0.761406 0.359667 0.208178 ] [ 0.734329 0.267973 0.762988 ] [ 0.451215 0.770098 0.7067 ] [ 0.475745 0.292128 0.820535 ] [ 0.705149 0.537862 0.488217 ] [ 0.770173 0.454901 0.972287 ] [ 0.229827 0.545099 0.027713 ] [ 0.524255 0.707872 0.179465 ] [ 0.157616 0.195435 0.448849 ] [ 0.842384 0.804565 0.551151 ] [ 0.762235 0.139592 0.603312 ] [ 0.251218 0.936303 0.04462 ] [ 0.237765 0.860408 0.396688 ] [ 0.94541 0.17405 0.205717 ] [ 0.905779 0.789481 0.209398 ] [ 0.094221 0.210519 0.790602 ] [ 0.548785 0.229902 0.2933 ] [ 0.748782 0.063697 0.95538 ] [ 0.05459 0.82595 0.794283 ] [ 0.294851 0.462138 0.511783 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "I" "I" "I" "I" "I" "I" "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" 7.40736846641 "source-unit" "angstrom" } "b" { "source-value" 7.89768578595 "source-unit" "angstrom" } "c" { "source-value" 8.31379012485 "source-unit" "angstrom" } "alpha" { "source-value" 70.358971175 "source-unit" "degree" } "beta" { "source-value" 73.0909378306 "source-unit" "degree" } "gamma" { "source-value" 80.8279032483 "source-unit" "degree" } }