{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.839301 0.5 0.588 ] [ 0.006825 0 0.512309 ] [ 0.006174 0 0.753425 ] [ 0.172467 0.5 0.67099 ] [ 0.838239 0.5 0.835346 ] [ 0.170096 0.5 0.916606 ] [ 0.339301 0 0.588 ] [ 0.506825 0.5 0.512309 ] [ 0.506174 0.5 0.753425 ] [ 0.672467 0 0.67099 ] [ 0.338239 0 0.835346 ] [ 0.670096 0 0.916606 ] [ 0.001453 0 0.99558 ] [ 0.83914 0.5 0.087831 ] [ 0.171366 0.5 0.169654 ] [ 0.003902 0 0.252897 ] [ 0.838094 0.5 0.335256 ] [ 0.17085 0.5 0.417914 ] [ 0.501453 0.5 0.99558 ] [ 0.33914 0 0.087831 ] [ 0.671366 0 0.169654 ] [ 0.503902 0.5 0.252897 ] [ 0.338094 0 0.335256 ] [ 0.67085 0 0.417914 ] [ 0.830811 0.5 0.019601 ] [ 0.161137 0.5 0.101517 ] [ 0.994305 0 0.184468 ] [ 0.827126 0.5 0.266917 ] [ 0.160939 0.5 0.349104 ] [ 0.998592 0 0.440623 ] [ 0.827979 0.5 0.519262 ] [ 0.162012 0.5 0.602796 ] [ 0.995025 0 0.684851 ] [ 0.828827 0.5 0.766336 ] [ 0.160993 0.5 0.84858 ] [ 0.9945 0 0.93014 ] [ 0.330811 0 0.019601 ] [ 0.661137 0 0.101517 ] [ 0.494305 0.5 0.184468 ] [ 0.327126 0 0.266917 ] [ 0.660939 0 0.349104 ] [ 0.498592 0.5 0.440623 ] [ 0.327979 0 0.519262 ] [ 0.662012 0 0.602796 ] [ 0.495025 0.5 0.684851 ] [ 0.328827 0 0.766336 ] [ 0.660993 0 0.84858 ] [ 0.4945 0.5 0.93014 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.25137858 "source-unit" "angstrom" } "b" { "source-value" 4.41568019 "source-unit" "angstrom" } "c" { "source-value" 39.89633965 "source-unit" "angstrom" } "beta" { "source-value" 90.61747132 "source-unit" "degree" } }