{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.674118 0 0.155545 ] [ 0.327773 0 0.33107 ] [ 0.656192 0 0.679541 ] [ 0.330925 0 0.83711 ] [ 0.003874 0 0.491561 ] [ 0.004721 0 0.008719 ] [ 0.174118 0.5 0.155545 ] [ 0.827773 0.5 0.33107 ] [ 0.156192 0.5 0.679541 ] [ 0.830925 0.5 0.83711 ] [ 0.503874 0.5 0.491561 ] [ 0.504721 0.5 0.008719 ] [ 0.832945 0.80573 0.333103 ] [ 0.166463 0.804078 0.665048 ] [ 0.231197 0 0.038785 ] [ 0.103253 0 0.294789 ] [ 0.772505 0 0.966449 ] [ 0.430876 0 0.627699 ] [ 0.166463 0.195922 0.665048 ] [ 0.832945 0.19427 0.333103 ] [ 0.001792 0.694203 0.000486 ] [ 0.001792 0.305797 0.000486 ] [ 0.332945 0.30573 0.333103 ] [ 0.666463 0.304078 0.665048 ] [ 0.731197 0.5 0.038785 ] [ 0.603253 0.5 0.294789 ] [ 0.272505 0.5 0.966449 ] [ 0.930876 0.5 0.627699 ] [ 0.666463 0.695922 0.665048 ] [ 0.332945 0.69427 0.333103 ] [ 0.501792 0.194203 0.000486 ] [ 0.501792 0.805797 0.000486 ] [ 0.895367 0 0.704068 ] [ 0.566798 0 0.367388 ] [ 0.395367 0.5 0.704068 ] [ 0.066798 0.5 0.367388 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.89067386 "source-unit" "angstrom" } "b" { "source-value" 6.32119929 "source-unit" "angstrom" } "c" { "source-value" 7.24299724 "source-unit" "angstrom" } "beta" { "source-value" 113.26923346 "source-unit" "degree" } }