{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.173626 0.347095 0.38801 ] [ 0.826374 0.652905 0.61199 ] [ 0.504225 0.755844 0.21958 ] [ 0.495775 0.244156 0.78042 ] [ 0.772135 0.843947 0.193484 ] [ 0.120543 0.233701 0.156336 ] [ 0.391139 0.508984 0.626965 ] [ 0.67175 0.381617 0.003972 ] [ 0.569758 0.017846 0.815184 ] [ 0.296847 0.128744 0.481387 ] [ 0.815588 0.38945 0.700631 ] [ 0.430242 0.982154 0.184816 ] [ 0.227865 0.156053 0.806516 ] [ 0.32825 0.618383 0.996028 ] [ 0.703153 0.871256 0.518613 ] [ 0.879457 0.766299 0.843664 ] [ 0.608861 0.491016 0.373035 ] [ 0.184412 0.61055 0.299369 ] [ 0.959858 0.282546 0.395488 ] [ 0.040142 0.717454 0.604512 ] ] } "species" { "source-value" [ "Mo" "Mo" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.17154395165 "source-unit" "angstrom" } "b" { "source-value" 8.57027827258 "source-unit" "angstrom" } "c" { "source-value" 9.98508393769 "source-unit" "angstrom" } "alpha" { "source-value" 89.6195785584 "source-unit" "degree" } "beta" { "source-value" 113.033580588 "source-unit" "degree" } "gamma" { "source-value" 108.553921704 "source-unit" "degree" } }