{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.21776 0.25 0.330141 ] [ 0.78224 0.75 0.669859 ] [ 0.268262 0.25 0.057933 ] [ 0.731738 0.75 0.942067 ] [ 0.282418 0.75 0.424675 ] [ 0.717582 0.25 0.575325 ] [ 0.701239 0.75 0.080783 ] [ 0.043463 0.25 0.123799 ] [ 0.464611 0.25 0.162662 ] [ 0.213183 0.936881 0.32343 ] [ 0.213183 0.563119 0.32343 ] [ 0.861743 0.25 0.435232 ] [ 0.567835 0.75 0.467168 ] [ 0.432165 0.25 0.532832 ] [ 0.138257 0.75 0.564768 ] [ 0.786817 0.436881 0.67657 ] [ 0.786817 0.063119 0.67657 ] [ 0.535389 0.75 0.837338 ] [ 0.956537 0.75 0.876201 ] [ 0.298761 0.25 0.919217 ] ] } "species" { "source-value" [ "Mn" "Mn" "C" "C" "S" "S" "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" 5.14138943 "source-unit" "angstrom" } "b" { "source-value" 6.22093442 "source-unit" "angstrom" } "c" { "source-value" 8.71139768 "source-unit" "angstrom" } "beta" { "source-value" 93.48522915 "source-unit" "degree" } }