{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.234457 0.575986 0.746236 ] [ 0.765543 0.075986 0.253764 ] [ 0.262398 0.999119 0.066262 ] [ 0.270076 0.476589 0.399207 ] [ 0.729924 0.976589 0.600793 ] [ 0.737602 0.499119 0.933738 ] [ 0.847636 0.863103 0.432773 ] [ 0.982034 0.846633 0.122812 ] [ 0.152364 0.363103 0.567227 ] [ 0.448901 0.794696 0.604975 ] [ 0.658544 0.289275 0.079827 ] [ 0.017966 0.346633 0.877188 ] [ 0.912421 0.78917 0.723956 ] [ 0.551099 0.294696 0.395025 ] [ 0.087579 0.28917 0.276044 ] [ 0.534088 0.356928 0.803024 ] [ 0.465912 0.856928 0.196976 ] [ 0.341456 0.789275 0.920173 ] ] } "species" { "source-value" [ "Mg" "Mg" "I" "I" "I" "I" "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" 5.55809507151 "source-unit" "angstrom" } "b" { "source-value" 5.3144134 "source-unit" "angstrom" } "c" { "source-value" 9.50505140582 "source-unit" "angstrom" } "beta" { "source-value" 90.3004370186 "source-unit" "degree" } }