{ "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" [ [ 0.228325 0.756115 0.935096 ] [ 0.771675 0.243885 0.064904 ] [ 0.776058 0.854425 0.209904 ] [ 0.63449 0.373537 0.595796 ] [ 0.36551 0.626463 0.404204 ] [ 0.223942 0.145575 0.790096 ] [ 0.89545 0.603773 0.655541 ] [ 0.423868 0.597252 0.169202 ] [ 0.749046 0.842187 0.977511 ] [ 0.250954 0.157813 0.022489 ] [ 0.576132 0.402748 0.830798 ] [ 0.10455 0.396227 0.344459 ] [ 0.709448 0.801853 0.437826 ] [ 0.412169 0.597402 0.626616 ] [ 0.086931 0.345348 0.843697 ] [ 0.290552 0.198147 0.562174 ] [ 0.539633 0.981427 0.232125 ] [ 0.913069 0.654652 0.156303 ] [ 0.587831 0.402598 0.373384 ] [ 0.460367 0.018573 0.767875 ] [ 0.250386 0.755339 0.434079 ] [ 0.017837 0.995655 0.729966 ] [ 0.749614 0.244661 0.565921 ] [ 0.982163 0.004345 0.270034 ] ] } "species" { "source-value" [ "Tl" "Tl" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.26701928954 "source-unit" "angstrom" } "b" { "source-value" 9.6258032269 "source-unit" "angstrom" } "c" { "source-value" 10.2814544459 "source-unit" "angstrom" } "alpha" { "source-value" 103.512886275 "source-unit" "degree" } "beta" { "source-value" 90.4392630905 "source-unit" "degree" } "gamma" { "source-value" 109.138555182 "source-unit" "degree" } }