{ "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" [ [ 0.22167 0 0.112348 ] [ 0.77833 0 0.887652 ] [ 0.72167 0.5 0.112348 ] [ 0.27833 0.5 0.887652 ] [ 0.36248 0 0.731123 ] [ 0.63752 0 0.268877 ] [ 0.86248 0.5 0.731123 ] [ 0.13752 0.5 0.268877 ] [ 0.010377 0 0.766475 ] [ 0.989623 0 0.233525 ] [ 0.510377 0.5 0.766475 ] [ 0.489623 0.5 0.233525 ] [ 0.293512 0 0.465348 ] [ 0.698832 0.189809 0.152447 ] [ 0.706488 0 0.534652 ] [ 0.45778 0 0.203296 ] [ 0.301168 0.189809 0.847553 ] [ 0.698832 0.810191 0.152447 ] [ 0.301168 0.810191 0.847553 ] [ 0.54222 0 0.796704 ] [ 0.793512 0.5 0.465348 ] [ 0.198832 0.689809 0.152447 ] [ 0.206488 0.5 0.534652 ] [ 0.95778 0.5 0.203296 ] [ 0.801168 0.689809 0.847553 ] [ 0.198832 0.310191 0.152447 ] [ 0.801168 0.310191 0.847553 ] [ 0.04222 0.5 0.796704 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3464614554 "source-unit" "angstrom" } "b" { "source-value" 7.36002228864 "source-unit" "angstrom" } "c" { "source-value" 6.93922191036 "source-unit" "angstrom" } "beta" { "source-value" 107.149522678 "source-unit" "degree" } }