{ "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" [ [ 0.653503 0.298204 0.80702 ] [ 0.178858 0.559045 0.20924 ] [ 0.613857 0.318099 0.154511 ] [ 0.413548 0.760617 0.613435 ] [ 0.83979 0.172921 0.459618 ] [ 0.089296 0.770972 0.913813 ] [ 0.545692 0.821601 0.040716 ] [ 0.185035 0.385192 0.845923 ] [ 0.876348 0.607436 0.500144 ] [ 0.963967 0.92862 0.197597 ] [ 0.431539 0.283757 0.499088 ] [ 0.977434 0.774836 0.348987 ] [ 0.437622 0.532177 0.008652 ] [ 0.998741 0.496861 0.948427 ] [ 0.202892 0.894181 0.38259 ] [ 0.234931 0.08739 0.338207 ] [ 0.391647 0.936352 0.940662 ] [ 0.755555 0.999846 0.233407 ] [ 0.991755 0.440176 0.43474 ] [ 0.596367 0.513442 0.452111 ] [ 0.936323 0.151019 0.690808 ] [ 0.972701 0.732419 0.696395 ] [ 0.58247 0.158242 0.536115 ] [ 0.780722 0.040818 0.780273 ] [ 0.349406 0.335778 0.679419 ] ] } "species" { "source-value" [ "Yb" "Yb" "Ba" "Ba" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 6.80729902 "source-unit" "angstrom" } "b" { "source-value" 7.1835545 "source-unit" "angstrom" } "c" { "source-value" 8.2506232 "source-unit" "angstrom" } "alpha" { "source-value" 100.4662355 "source-unit" "degree" } "beta" { "source-value" 92.05557731 "source-unit" "degree" } "gamma" { "source-value" 114.82908835 "source-unit" "degree" } }