{ "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" [ [ 0.018358 0.009568 0.007423 ] [ 0.46969 0.475642 0.992853 ] [ 0.995071 0.668004 0.330688 ] [ 0.486968 0.808375 0.676879 ] [ 0.489044 0.164159 0.324492 ] [ 0.013267 0.341198 0.668715 ] [ 0.30383 0.20051 0.106512 ] [ 0.301059 0.528032 0.772394 ] [ 0.7997 0.988456 0.223112 ] [ 0.20112 0.685829 0.113748 ] [ 0.297876 0.853214 0.444362 ] [ 0.696467 0.481203 0.219502 ] [ 0.79198 0.653026 0.551132 ] [ 0.204582 0.349699 0.445183 ] [ 0.713705 0.812093 0.901815 ] [ 0.702838 0.14657 0.555997 ] [ 0.805186 0.319221 0.882794 ] [ 0.209258 0.015201 0.7824 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.59455399 "source-unit" "angstrom" } "b" { "source-value" 5.91396887 "source-unit" "angstrom" } "c" { "source-value" 7.51255873 "source-unit" "angstrom" } "alpha" { "source-value" 90.76276133 "source-unit" "degree" } "beta" { "source-value" 90.70822296 "source-unit" "degree" } "gamma" { "source-value" 93.73918895 "source-unit" "degree" } }