{ "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" [ [ 0.156029 0.5 0.937171 ] [ 0.843971 0.5 0.062829 ] [ 0.091307 0.5 0.390973 ] [ 0.908693 0.5 0.609027 ] [ 0.656029 0 0.937171 ] [ 0.343971 0 0.062829 ] [ 0.591307 0 0.390973 ] [ 0.408693 0 0.609027 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.781896 0 0.362039 ] [ 0.218104 0 0.637961 ] [ 0.281896 0.5 0.362039 ] [ 0.718104 0.5 0.637961 ] [ 0.933829 0 0.337332 ] [ 0.066171 0 0.662668 ] [ 0.79845 0 0.735549 ] [ 0.20155 0 0.264451 ] [ 0.433829 0.5 0.337332 ] [ 0.566171 0.5 0.662668 ] [ 0.29845 0.5 0.735549 ] [ 0.70155 0.5 0.264451 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "In" "In" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.3454464408 "source-unit" "angstrom" } "b" { "source-value" 4.19197043861 "source-unit" "angstrom" } "c" { "source-value" 6.98959571304 "source-unit" "angstrom" } "beta" { "source-value" 108.613582294 "source-unit" "degree" } }