{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.605583 0 0.809959 ] [ 0.105583 0.5 0.809959 ] [ 0.045959 0 0.000444 ] [ 0.438701 0 0.200644 ] [ 0.818431 0 0.402314 ] [ 0.208338 0 0.606107 ] [ 0.545959 0.5 0.000444 ] [ 0.938701 0.5 0.200644 ] [ 0.318431 0.5 0.402314 ] [ 0.708338 0.5 0.606107 ] [ 0.392266 0 0.055232 ] [ 0.087015 0 0.145965 ] [ 0.168988 0 0.452044 ] [ 0.788936 0 0.251527 ] [ 0.469781 0 0.35037 ] [ 0.562737 0 0.667662 ] [ 0.856189 0 0.555548 ] [ 0.948164 0 0.813176 ] [ 0.253859 0 0.742698 ] [ 0.323174 0 0.881649 ] [ 0.68388 0 0.948661 ] [ 0.892266 0.5 0.055232 ] [ 0.587015 0.5 0.145965 ] [ 0.668988 0.5 0.452044 ] [ 0.288936 0.5 0.251527 ] [ 0.969781 0.5 0.35037 ] [ 0.062737 0.5 0.667662 ] [ 0.356189 0.5 0.555548 ] [ 0.448164 0.5 0.813176 ] [ 0.753859 0.5 0.742698 ] [ 0.823174 0.5 0.881649 ] [ 0.18388 0.5 0.948661 ] ] } "species" { "source-value" [ "Nd" "Nd" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.11645493 "source-unit" "angstrom" } "b" { "source-value" 4.22473839 "source-unit" "angstrom" } "c" { "source-value" 17.64880736 "source-unit" "angstrom" } "beta" { "source-value" 97.51087742 "source-unit" "degree" } }