{ "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" [ [ 0.878803 0.680089 0.819066 ] [ 0.034602 0.892561 0.215799 ] [ 0.965398 0.107439 0.784201 ] [ 0.536185 0.225256 0.942528 ] [ 0.613154 0.145501 0.301581 ] [ 0.386846 0.854499 0.698419 ] [ 0.121197 0.319911 0.180934 ] [ 0.463815 0.774744 0.057472 ] [ 0.781578 0.999924 0.000557 ] [ 0.218422 0.000076 0.999443 ] [ 0.746845 0.591336 0.419381 ] [ 0.253155 0.408664 0.580619 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Mo" "Mo" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.9030421303 "source-unit" "angstrom" } "b" { "source-value" 8.36246209521 "source-unit" "angstrom" } "c" { "source-value" 8.37216683737 "source-unit" "angstrom" } "alpha" { "source-value" 115.198646557 "source-unit" "degree" } "beta" { "source-value" 102.794040924 "source-unit" "degree" } "gamma" { "source-value" 100.783796194 "source-unit" "degree" } }