{ "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" [ [ 0.647866 0.810625 0.711028 ] [ 0.352134 0.189375 0.288972 ] [ 0.181945 0.349794 0.804534 ] [ 0.818055 0.650206 0.195466 ] [ 0.139381 0.185475 0.068812 ] [ 0.436412 0.795076 0.490055 ] [ 0.563588 0.204924 0.509945 ] [ 0.506397 0.022896 0.81137 ] [ 0.493603 0.977104 0.18863 ] [ 0.372293 0.680412 0.760833 ] [ 0.860619 0.814525 0.931188 ] [ 0.27812 0.57843 0.085414 ] [ 0.076947 0.0601 0.337291 ] [ 0.202626 0.401584 0.389105 ] [ 0.72188 0.42157 0.914586 ] [ 0.797374 0.598416 0.610895 ] [ 0.627707 0.319588 0.239167 ] [ 0.923053 0.9399 0.662709 ] ] } "species" { "source-value" [ "As" "As" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.77220208291 "source-unit" "angstrom" } "b" { "source-value" 7.41579482441 "source-unit" "angstrom" } "c" { "source-value" 7.67584946724 "source-unit" "angstrom" } "alpha" { "source-value" 105.667247381 "source-unit" "degree" } "beta" { "source-value" 101.073866478 "source-unit" "degree" } "gamma" { "source-value" 90.8786653177 "source-unit" "degree" } }