{ "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" [ [ 0.32632 0 0.847836 ] [ 0.66187 0 0.657827 ] [ 0.339181 0 0.31699 ] [ 0.158831 0.5 0.179294 ] [ 0.002285 0 0.495524 ] [ 0.007167 0 0.000387 ] [ 0.82632 0.5 0.847836 ] [ 0.16187 0.5 0.657827 ] [ 0.839181 0.5 0.31699 ] [ 0.658831 0 0.179294 ] [ 0.502285 0.5 0.495524 ] [ 0.507167 0.5 0.000387 ] [ 0.163852 0.802568 0.670639 ] [ 0.332565 0.304007 0.332558 ] [ 0.231836 0 0.047472 ] [ 0.061186 0.5 0.366805 ] [ 0.832565 0.195993 0.332558 ] [ 0.663852 0.697432 0.670639 ] [ 0.001437 0.693681 0.001539 ] [ 0.001437 0.306319 0.001539 ] [ 0.663852 0.302568 0.670639 ] [ 0.832565 0.804007 0.332558 ] [ 0.731836 0.5 0.047472 ] [ 0.561186 0 0.366805 ] [ 0.332565 0.695993 0.332558 ] [ 0.163852 0.197432 0.670639 ] [ 0.501437 0.193681 0.001539 ] [ 0.501437 0.806319 0.001539 ] [ 0.119156 0 0.308167 ] [ 0.932775 0.5 0.614825 ] [ 0.77556 0 0.960813 ] [ 0.888129 0 0.694586 ] [ 0.619156 0.5 0.308167 ] [ 0.432775 0 0.614825 ] [ 0.27556 0.5 0.960813 ] [ 0.388129 0.5 0.694586 ] ] } "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" "F" "F" "F" "F" "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" 9.17025737 "source-unit" "angstrom" } "b" { "source-value" 6.2979087 "source-unit" "angstrom" } "c" { "source-value" 7.69450172 "source-unit" "angstrom" } "beta" { "source-value" 116.01791368 "source-unit" "degree" } }