{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.250559 0.748539 0.750898 ] [ 0.250559 0.251461 0.250898 ] [ 0.732705 0.2392 0.75086 ] [ 0.732705 0.7608 0.25086 ] [ 0.998433 0.252575 0.502957 ] [ 0.998433 0.747425 0.002957 ] [ 0.501598 0.250446 0.000981 ] [ 0.501598 0.749554 0.500981 ] [ 0.787184 0.240391 0.240419 ] [ 0.712347 0.98059 0.45834 ] [ 0.312495 0.992043 0.037333 ] [ 0.312495 0.007957 0.537333 ] [ 0.712347 0.01941 0.95834 ] [ 0.787184 0.759609 0.740419 ] [ 0.163707 0.748992 0.260976 ] [ 0.324316 0.513924 0.04087 ] [ 0.716656 0.5262 0.456366 ] [ 0.716656 0.4738 0.956366 ] [ 0.324316 0.486076 0.54087 ] [ 0.163707 0.251008 0.760976 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Mn" "Mn" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.78197619 "source-unit" "angstrom" } "b" { "source-value" 5.77729715 "source-unit" "angstrom" } "c" { "source-value" 9.90925853 "source-unit" "angstrom" } "beta" { "source-value" 125.05813204 "source-unit" "degree" } }