{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.009293 0.539569 0.750662 ] [ 0.490707 0.039569 0.749338 ] [ 0.509293 0.960431 0.250662 ] [ 0.990707 0.460431 0.249338 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.276349 0.803878 0.542517 ] [ 0.223651 0.303878 0.957483 ] [ 0.723651 0.196122 0.457483 ] [ 0.776349 0.696122 0.042517 ] [ 0.193524 0.276436 0.547118 ] [ 0.306476 0.776436 0.952882 ] [ 0.806476 0.723564 0.452882 ] [ 0.693524 0.223564 0.047118 ] [ 0.915699 0.973181 0.735263 ] [ 0.584301 0.473181 0.764737 ] [ 0.084301 0.026819 0.264737 ] [ 0.415699 0.526819 0.235263 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Y" "Y" "Nb" "Nb" "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" 5.85843662545 "source-unit" "angstrom" } "b" { "source-value" 5.96317966 "source-unit" "angstrom" } "c" { "source-value" 8.33669542912 "source-unit" "angstrom" } "beta" { "source-value" 90.2023639759 "source-unit" "degree" } }