{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.816265 0.5 0.851948 ] [ 0.967957 0.5 0.168628 ] [ 0.11684 0.5 0.490499 ] [ 0.183735 0.5 0.148052 ] [ 0.032043 0.5 0.831372 ] [ 0.88316 0.5 0.509501 ] [ 0.316265 0 0.851948 ] [ 0.467957 0 0.168628 ] [ 0.61684 0 0.490499 ] [ 0.683735 0 0.148052 ] [ 0.532043 0 0.831372 ] [ 0.38316 0 0.509501 ] [ 0.024203 0 0.616666 ] [ 0.09599 0 0.281603 ] [ 0.90401 0 0.718397 ] [ 0.07024 0 0.044135 ] [ 0.975797 0 0.383334 ] [ 0.92976 0 0.955865 ] [ 0.524203 0.5 0.616666 ] [ 0.59599 0.5 0.281603 ] [ 0.40401 0.5 0.718397 ] [ 0.57024 0.5 0.044135 ] [ 0.475797 0.5 0.383334 ] [ 0.42976 0.5 0.955865 ] [ 0.226378 0 0.607484 ] [ 0.201254 0.5 0.873583 ] [ 0.798746 0.5 0.126417 ] [ 0.773622 0 0.392516 ] [ 0.726378 0.5 0.607484 ] [ 0.701254 0 0.873583 ] [ 0.298746 0 0.126417 ] [ 0.273622 0.5 0.392516 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.203431893 "source-unit" "angstrom" } "b" { "source-value" 4.33109297 "source-unit" "angstrom" } "c" { "source-value" 10.8585985898 "source-unit" "angstrom" } "beta" { "source-value" 98.301805135 "source-unit" "degree" } }