{ "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" [ [ 0.649967 0.5 0.680187 ] [ 0.819161 0.5 0.716932 ] [ 0.980557 0.5 0.733516 ] [ 0.350033 0.5 0.319813 ] [ 0.180839 0.5 0.283068 ] [ 0.019443 0.5 0.266484 ] [ 0.149967 0 0.680187 ] [ 0.319161 0 0.716932 ] [ 0.480557 0 0.733516 ] [ 0.850033 0 0.319813 ] [ 0.680839 0 0.283068 ] [ 0.519443 0 0.266484 ] [ 0.092782 0.5 0.728899 ] [ 0.809561 0 0.855147 ] [ 0.037898 0 0.151882 ] [ 0.962102 0 0.848118 ] [ 0.907218 0.5 0.271101 ] [ 0.190439 0 0.144853 ] [ 0.592782 0 0.728899 ] [ 0.309561 0.5 0.855147 ] [ 0.537898 0.5 0.151882 ] [ 0.462102 0.5 0.848118 ] [ 0.407218 0 0.271101 ] [ 0.690439 0.5 0.144853 ] [ 0.845116 0 0.092709 ] [ 0.154884 0 0.907291 ] [ 0.345116 0.5 0.092709 ] [ 0.654884 0.5 0.907291 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 25.1798689512 "source-unit" "angstrom" } "b" { "source-value" 4.1627568471 "source-unit" "angstrom" } "c" { "source-value" 13.7507712559 "source-unit" "angstrom" } "beta" { "source-value" 158.105916325 "source-unit" "degree" } }