{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.493502 0.75 0.595145 ] [ 0.265794 0.75 0.919414 ] [ 0.506498 0.25 0.404855 ] [ 0.734206 0.25 0.080586 ] [ 0.510189 0.25 0.787841 ] [ 0.858433 0.75 0.316144 ] [ 0.141567 0.25 0.683856 ] [ 0.489811 0.75 0.212159 ] [ 0.131588 0.25 0.425133 ] [ 0.895869 0.75 0.902102 ] [ 0.868412 0.75 0.574867 ] [ 0.104131 0.25 0.097898 ] [ 0.37377 0.75 0.45495 ] [ 0.09286 0.75 0.315709 ] [ 0.62623 0.25 0.54505 ] [ 0.412257 0.25 0.916498 ] [ 0.898254 0.25 0.43413 ] [ 0.087007 0.25 0.940453 ] [ 0.366856 0.25 0.658549 ] [ 0.853431 0.25 0.217519 ] [ 0.620912 0.75 0.741886 ] [ 0.587743 0.75 0.083502 ] [ 0.146569 0.75 0.782481 ] [ 0.912993 0.75 0.059547 ] [ 0.26579 0.75 0.077887 ] [ 0.379088 0.25 0.258114 ] [ 0.90714 0.25 0.684291 ] [ 0.633144 0.75 0.341451 ] [ 0.101746 0.75 0.56587 ] [ 0.73421 0.25 0.922113 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3208942852 "source-unit" "angstrom" } "b" { "source-value" 3.97783772 "source-unit" "angstrom" } "c" { "source-value" 16.5342149452 "source-unit" "angstrom" } "beta" { "source-value" 94.2304843723 "source-unit" "degree" } }