{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.463797 0.975348 0.740644 ] [ 0.536203 0.475348 0.759356 ] [ 0.463797 0.524652 0.240644 ] [ 0.536203 0.024652 0.259356 ] [ 0.107132 0.746505 0.900486 ] [ 0.107132 0.753495 0.400486 ] [ 0.892868 0.246505 0.599514 ] [ 0.892868 0.253495 0.099514 ] [ 0.12345 0.09506 0.694391 ] [ 0.161364 0.806799 0.665031 ] [ 0.179388 0.369157 0.637705 ] [ 0.369814 0.89378 0.999392 ] [ 0.40215 0.614019 0.945488 ] [ 0.12345 0.40494 0.194391 ] [ 0.161364 0.693201 0.165031 ] [ 0.179388 0.130843 0.137705 ] [ 0.369814 0.60622 0.499392 ] [ 0.40215 0.885981 0.445488 ] [ 0.59785 0.114019 0.554512 ] [ 0.630186 0.39378 0.500608 ] [ 0.820612 0.869157 0.862295 ] [ 0.838636 0.306799 0.834969 ] [ 0.87655 0.59506 0.805609 ] [ 0.59785 0.385981 0.054512 ] [ 0.630186 0.10622 0.000608 ] [ 0.820612 0.630843 0.362295 ] [ 0.838636 0.193201 0.334969 ] [ 0.87655 0.90494 0.305609 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "La" "La" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.80637386 "source-unit" "angstrom" } "b" { "source-value" 15.85232159 "source-unit" "angstrom" } "c" { "source-value" 12.1167003 "source-unit" "angstrom" } "beta" { "source-value" 109.80090802 "source-unit" "degree" } }