{ "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" [ [ 0.058079 0.332035 0.701264 ] [ 0.941921 0.667965 0.298736 ] [ 0.530451 0.781681 0.578378 ] [ 0.469549 0.218319 0.421622 ] [ 0.46161 0.214483 0.938279 ] [ 0.53839 0.785517 0.061721 ] [ 0.733842 0.580601 0.774338 ] [ 0.266158 0.419399 0.225662 ] [ 0.898565 0.210312 0.327828 ] [ 0.101435 0.789688 0.672172 ] [ 0.898379 0.22275 0.014678 ] [ 0.101621 0.77725 0.985322 ] [ 0.486845 0.482552 0.748608 ] [ 0.513155 0.517448 0.251392 ] [ 0.76074 0.088535 0.840474 ] [ 0.23926 0.911465 0.159526 ] [ 0.144875 0.367955 0.379063 ] [ 0.855125 0.632045 0.620937 ] [ 0.146746 0.35949 0.043309 ] [ 0.853254 0.64051 0.956691 ] [ 0.765876 0.051831 0.420405 ] [ 0.234124 0.948169 0.579595 ] [ 0.772576 0.218244 0.172506 ] [ 0.227424 0.781756 0.827494 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "B" "B" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.64993806829 "source-unit" "angstrom" } "b" { "source-value" 6.94294600328 "source-unit" "angstrom" } "c" { "source-value" 7.81559831022 "source-unit" "angstrom" } "alpha" { "source-value" 105.899470066 "source-unit" "degree" } "beta" { "source-value" 90.5492217081 "source-unit" "degree" } "gamma" { "source-value" 116.146064427 "source-unit" "degree" } }