{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.470462 0.75 0.223991 ] [ 0.529538 0.25 0.776009 ] [ 0.929687 0.25 0.277406 ] [ 0.070313 0.75 0.722594 ] [ 0.444402 0.25 0.099904 ] [ 0.896204 0.75 0.402684 ] [ 0.103796 0.25 0.597316 ] [ 0.555598 0.75 0.900096 ] [ 0.656088 0.75 0.050681 ] [ 0.738661 0.25 0.104585 ] [ 0.321795 0.045174 0.167263 ] [ 0.321795 0.454826 0.167263 ] [ 0.74071 0.938852 0.327599 ] [ 0.74071 0.561148 0.327599 ] [ 0.184942 0.75 0.357015 ] [ 0.129423 0.25 0.448868 ] [ 0.870577 0.75 0.551132 ] [ 0.815058 0.25 0.642985 ] [ 0.25929 0.061148 0.672401 ] [ 0.25929 0.438852 0.672401 ] [ 0.678205 0.545174 0.832737 ] [ 0.678205 0.954826 0.832737 ] [ 0.261339 0.75 0.895415 ] [ 0.343912 0.25 0.949319 ] ] } "species" { "source-value" [ "Nb" "Nb" "Cu" "Cu" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.12146071 "source-unit" "angstrom" } "b" { "source-value" 6.20711126 "source-unit" "angstrom" } "c" { "source-value" 9.95246019 "source-unit" "angstrom" } "beta" { "source-value" 91.18415802 "source-unit" "degree" } }