{ "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" [ [ 0.963595 0.25 0.564644 ] [ 0.036405 0.75 0.435356 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.529406 0.006296 0.303492 ] [ 0.529406 0.493704 0.303492 ] [ 0.470594 0.993704 0.696508 ] [ 0.470594 0.506296 0.696508 ] [ 0.911851 0.25 0.020256 ] [ 0.848687 0.938339 0.213938 ] [ 0.848687 0.561661 0.213938 ] [ 0.739464 0.959676 0.532303 ] [ 0.739464 0.540324 0.532303 ] [ 0.655441 0.25 0.341896 ] [ 0.677993 0.950891 0.87819 ] [ 0.677993 0.549109 0.87819 ] [ 0.571678 0.25 0.685298 ] [ 0.428322 0.75 0.314702 ] [ 0.322007 0.049109 0.12181 ] [ 0.322007 0.450891 0.12181 ] [ 0.344559 0.75 0.658104 ] [ 0.260536 0.040324 0.467697 ] [ 0.260536 0.459676 0.467697 ] [ 0.151313 0.061661 0.786062 ] [ 0.151313 0.438339 0.786062 ] [ 0.088149 0.75 0.979744 ] ] } "species" { "source-value" [ "Gd" "Gd" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "O" "O" "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" 5.36076465 "source-unit" "angstrom" } "b" { "source-value" 7.56693113 "source-unit" "angstrom" } "c" { "source-value" 8.3174089 "source-unit" "angstrom" } "beta" { "source-value" 92.48838116 "source-unit" "degree" } }