{ "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" [ [ 0.522371 0.55533 0.129603 ] [ 0.498575 0.482691 0.880123 ] [ 0.47831 0.554713 0.377935 ] [ 0.497482 0.503887 0.626596 ] [ 0.952147 0.946027 0.728857 ] [ 0.012447 0.043237 0.531919 ] [ 0.969279 0.099567 0.249121 ] [ 0.051118 0.077335 0.016685 ] [ 0.003906 0.50908 0.890177 ] [ 0.000971 0.515227 0.627043 ] [ 0.9919 0.50692 0.366052 ] [ 0.000354 0.490075 0.129809 ] [ 0.493007 0.494817 0.011966 ] [ 0.516782 0.526211 0.767172 ] [ 0.491954 0.504046 0.48967 ] [ 0.505067 0.48929 0.247489 ] [ 0.501273 0.014234 0.888206 ] [ 0.513964 0.006907 0.626708 ] [ 0.493538 0.014674 0.368752 ] [ 0.505557 0.997133 0.128968 ] ] } "species" { "source-value" [ "Ti" "Nb" "Nb" "Zn" "Pb" "Pb" "Pb" "Pb" "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" 4.02230033 "source-unit" "angstrom" } "b" { "source-value" 4.10146679 "source-unit" "angstrom" } "c" { "source-value" 16.70006185 "source-unit" "angstrom" } "alpha" { "source-value" 89.59879935 "source-unit" "degree" } "beta" { "source-value" 89.73955633 "source-unit" "degree" } "gamma" { "source-value" 89.67991599 "source-unit" "degree" } }