{ "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" [ [ 0.888834 0.369509 0.32974 ] [ 0.111166 0.630491 0.670259 ] [ 0.546804 0.189071 0.778991 ] [ 0.453196 0.810929 0.221009 ] [ 0.653261 0.893403 0.128767 ] [ 0.346739 0.106597 0.871233 ] [ 0.205456 0.484223 0.452064 ] [ 0.794544 0.515777 0.547936 ] [ 0.081438 0.830795 0.557631 ] [ 0.918562 0.169205 0.442369 ] [ 0.99245 0.763335 0.865181 ] [ 0.00755 0.236665 0.134819 ] [ 0.122813 0.424444 0.778898 ] [ 0.877187 0.575556 0.221102 ] [ 0.426008 0.714426 0.756825 ] [ 0.573992 0.285574 0.243175 ] [ 0.444448 0.199828 0.589008 ] [ 0.555552 0.800172 0.410992 ] [ 0.745509 0.059371 0.771261 ] [ 0.254491 0.940629 0.228739 ] [ 0.651378 0.385529 0.883554 ] [ 0.348622 0.614471 0.116446 ] ] } "species" { "source-value" [ "Mo" "Mo" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.23355992124 "source-unit" "angstrom" } "b" { "source-value" 9.29794599618 "source-unit" "angstrom" } "c" { "source-value" 9.83693659446 "source-unit" "angstrom" } "alpha" { "source-value" 100.962971343 "source-unit" "degree" } "beta" { "source-value" 96.3645146004 "source-unit" "degree" } "gamma" { "source-value" 95.6965009691 "source-unit" "degree" } }