{ "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" [ [ 0.087138 0.704678 0.964648 ] [ 0.453451 0.536534 0.731417 ] [ 0.579227 0.009809 0.840897 ] [ 0.420773 0.990191 0.159103 ] [ 0.546549 0.463466 0.268583 ] [ 0.912862 0.295322 0.035352 ] [ 0.067174 0.172614 0.453888 ] [ 0.171852 0.924498 0.422269 ] [ 0.828148 0.075502 0.577731 ] [ 0.932826 0.827386 0.546112 ] [ 0.096302 0.448801 0.900098 ] [ 0.232768 0.748217 0.811657 ] [ 0.183111 0.516722 0.609661 ] [ 0.239962 0.983486 0.980679 ] [ 0.077464 0.918778 0.198268 ] [ 0.270492 0.306811 0.099565 ] [ 0.370781 0.23986 0.315136 ] [ 0.348134 0.599064 0.357513 ] [ 0.432804 0.059798 0.687317 ] [ 0.570811 0.262082 0.896006 ] [ 0.429189 0.737918 0.103994 ] [ 0.567196 0.940202 0.312683 ] [ 0.651866 0.400936 0.642487 ] [ 0.629219 0.76014 0.684864 ] [ 0.729508 0.693189 0.900435 ] [ 0.922536 0.081222 0.801732 ] [ 0.760038 0.016514 0.019321 ] [ 0.816889 0.483278 0.390339 ] [ 0.767232 0.251783 0.188343 ] [ 0.903698 0.551199 0.099902 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "Cl" "Cl" "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" 7.0139807 "source-unit" "angstrom" } "b" { "source-value" 9.99167964 "source-unit" "angstrom" } "c" { "source-value" 15.21548375 "source-unit" "angstrom" } "alpha" { "source-value" 94.45579284 "source-unit" "degree" } "beta" { "source-value" 94.84731287 "source-unit" "degree" } "gamma" { "source-value" 99.26644305 "source-unit" "degree" } }