{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.493798 0.125978 0.126293 ] [ 0.752232 0.566067 0.549261 ] [ 0.959603 0.505009 0.083715 ] [ 0.183704 0.948171 0.542256 ] [ 0.939364 0.046679 0.442392 ] [ 0.991691 0.934482 0.746175 ] [ 0.31969 0.165991 0.560782 ] [ 0.702857 0.36582 0.692181 ] [ 0.822871 0.190622 0.077798 ] [ 0.277583 0.332267 0.205376 ] [ 0.470941 0.928334 0.28271 ] [ 0.424637 0.039573 0.952387 ] [ 0.078162 0.72289 0.121999 ] [ 0.171323 0.466131 0.889331 ] [ 0.688522 0.614373 0.01336 ] [ 0.080385 0.62923 0.514699 ] [ 0.533029 0.768094 0.635741 ] [ 0.693209 0.500088 0.358841 ] ] } "species" { "source-value" [ "Fe" "Fe" "Se" "Se" "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" 6.61185026382 "source-unit" "angstrom" } "b" { "source-value" 8.530419135 "source-unit" "angstrom" } "c" { "source-value" 10.3610006778 "source-unit" "angstrom" } "alpha" { "source-value" 85.5621209689 "source-unit" "degree" } "beta" { "source-value" 75.9956877643 "source-unit" "degree" } "gamma" { "source-value" 83.8625955274 "source-unit" "degree" } }