{ "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" [ [ 0.505548 0.46901 0.750446 ] [ 0.994452 0.96901 0.749554 ] [ 0.005548 0.03099 0.250446 ] [ 0.494452 0.53099 0.249554 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.231672 0.796455 0.465182 ] [ 0.768328 0.203545 0.534818 ] [ 0.431593 0.015336 0.735916 ] [ 0.700643 0.729859 0.537083 ] [ 0.068407 0.515336 0.764084 ] [ 0.200643 0.770141 0.037083 ] [ 0.931593 0.484664 0.235916 ] [ 0.799357 0.229859 0.962917 ] [ 0.731672 0.703545 0.965182 ] [ 0.299357 0.270141 0.462917 ] [ 0.568407 0.984664 0.264084 ] [ 0.268328 0.296455 0.034818 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mo" "Mo" "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" 5.73325542301 "source-unit" "angstrom" } "b" { "source-value" 5.76091968 "source-unit" "angstrom" } "c" { "source-value" 8.09817889742 "source-unit" "angstrom" } "beta" { "source-value" 90.1324011981 "source-unit" "degree" } }