{ "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 0.5 0 ] [ 0.827693 0.5 0.048775 ] [ 0.172307 0.5 0.951225 ] [ 0.906743 0.5 0.566093 ] [ 0.093257 0.5 0.433907 ] [ 0.5 0 0 ] [ 0.327693 0 0.048775 ] [ 0.672307 0 0.951225 ] [ 0.406743 0 0.566093 ] [ 0.593257 0 0.433907 ] [ 0.044451 0 0.698564 ] [ 0.955549 0 0.301436 ] [ 0.193326 0 0.270322 ] [ 0.806674 0 0.729678 ] [ 0.200131 0 0.657726 ] [ 0.799869 0 0.342274 ] [ 0.544451 0.5 0.698564 ] [ 0.455549 0.5 0.301436 ] [ 0.693326 0.5 0.270322 ] [ 0.306674 0.5 0.729678 ] [ 0.700131 0.5 0.657726 ] [ 0.299869 0.5 0.342274 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.8325090889 "source-unit" "angstrom" } "b" { "source-value" 3.99971736442 "source-unit" "angstrom" } "c" { "source-value" 6.47787901187 "source-unit" "angstrom" } "beta" { "source-value" 102.483289389 "source-unit" "degree" } }