{ "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" [ [ 0.737104 0.664948 0.320552 ] [ 0.262896 0.335052 0.679448 ] [ 0.476676 0.66885 0.797171 ] [ 0.523324 0.33115 0.202829 ] [ 0.013089 0.041961 0.618055 ] [ 0.986911 0.958039 0.381945 ] [ 0.090296 0.183439 0.241622 ] [ 0.909704 0.816561 0.758378 ] [ 0.141461 0.048922 0.002786 ] [ 0.858539 0.951078 0.997214 ] [ 0.236158 0.676746 0.393807 ] [ 0.763842 0.323254 0.606193 ] [ 0.23655 0.579378 0.156541 ] [ 0.76345 0.420622 0.843459 ] [ 0.395872 0.122242 0.327483 ] [ 0.604128 0.877758 0.672517 ] [ 0.401846 0.773685 0.039756 ] [ 0.598154 0.226315 0.960244 ] ] } "species" { "source-value" [ "Ba" "Ba" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.85995734456 "source-unit" "angstrom" } "b" { "source-value" 7.33009139292 "source-unit" "angstrom" } "c" { "source-value" 8.68997439551 "source-unit" "angstrom" } "alpha" { "source-value" 86.3649179921 "source-unit" "degree" } "beta" { "source-value" 83.7566795859 "source-unit" "degree" } "gamma" { "source-value" 70.215037179 "source-unit" "degree" } }