{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.676363 0 0.218798 ] [ 0.663055 0 0.818447 ] [ 0.336945 0.5 0.318447 ] [ 0.323637 0.5 0.718798 ] [ 0.327914 0 0.497205 ] [ 0.163981 0.758829 0.000481 ] [ 0.836019 0.741171 0.500481 ] [ 0.672086 0.5 0.997205 ] [ 0.836019 0.258829 0.500481 ] [ 0.163981 0.241171 0.000481 ] [ 0.311321 0 0.107455 ] [ 0.660407 0 0.60653 ] [ 0.995054 0 0.391647 ] [ 0.037969 0 0.887199 ] [ 0.519998 0.77993 0.379948 ] [ 0.159721 0.763061 0.603022 ] [ 0.840279 0.736939 0.103022 ] [ 0.480002 0.72007 0.879948 ] [ 0.339593 0.5 0.10653 ] [ 0.004946 0.5 0.891647 ] [ 0.688679 0.5 0.607455 ] [ 0.962031 0.5 0.387199 ] [ 0.480002 0.27993 0.879948 ] [ 0.840279 0.263061 0.103022 ] [ 0.159721 0.236939 0.603022 ] [ 0.519998 0.22007 0.379948 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 4.98360608 "source-unit" "angstrom" } "b" { "source-value" 5.8732674 "source-unit" "angstrom" } "c" { "source-value" 9.49624009 "source-unit" "angstrom" } }