{ "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" [ [ 0.530112 0.389418 0.780522 ] [ 0.469888 0.610582 0.219478 ] [ 0.326653 0.824503 0.88054 ] [ 0 0.5 0 ] [ 0.81653 0.779138 0.384448 ] [ 0.114268 0.112044 0.294618 ] [ 0.885732 0.887956 0.705382 ] [ 0.18347 0.220862 0.615552 ] [ 0.673347 0.175497 0.11946 ] [ 0.385652 0.098914 0.748133 ] [ 0.518867 0.690142 0.635025 ] [ 0.769637 0.551386 0.27846 ] [ 0.987966 0.211478 0.086827 ] [ 0.794912 0.029594 0.486484 ] [ 0.588297 0.816795 0.946438 ] [ 0.942641 0.653805 0.578999 ] [ 0.160113 0.844076 0.19746 ] [ 0.708282 0.459662 0.971521 ] [ 0.291718 0.540338 0.028479 ] [ 0.839887 0.155924 0.80254 ] [ 0.057359 0.346195 0.421001 ] [ 0.411703 0.183205 0.053562 ] [ 0.205088 0.970406 0.513516 ] [ 0.012034 0.788522 0.913173 ] [ 0.230363 0.448614 0.72154 ] [ 0.481133 0.309858 0.364975 ] [ 0.614348 0.901086 0.251867 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.74593562 "source-unit" "angstrom" } "b" { "source-value" 11.52290983 "source-unit" "angstrom" } "c" { "source-value" 12.091405 "source-unit" "angstrom" } "alpha" { "source-value" 79.22676725 "source-unit" "degree" } "beta" { "source-value" 63.64343551 "source-unit" "degree" } "gamma" { "source-value" 83.79392717 "source-unit" "degree" } }