{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.99559 0 0.834444 ] [ 0.99559 0 0.165556 ] [ 0.022531 0 0.5 ] [ 0.493793 0 0.675365 ] [ 0.496753 0 0 ] [ 0.493793 0 0.324635 ] [ 0.49559 0.5 0.834444 ] [ 0.49559 0.5 0.165556 ] [ 0.522531 0.5 0.5 ] [ 0.993793 0.5 0.675365 ] [ 0.996753 0.5 0 ] [ 0.993793 0.5 0.324635 ] [ 0.297776 0 0.836402 ] [ 0.297776 0 0.163598 ] [ 0.319733 0 0.5 ] [ 0.692436 0 0.835228 ] [ 0.692436 0 0.164772 ] [ 0.797776 0.5 0.836402 ] [ 0.797776 0.5 0.163598 ] [ 0.819733 0.5 0.5 ] [ 0.192436 0.5 0.835228 ] [ 0.192436 0.5 0.164772 ] [ 0.997213 0.18743 0 ] [ 0.000906 0.190076 0.334277 ] [ 0.000906 0.190076 0.665723 ] [ 0.703742 0 0.5 ] [ 0.997213 0.81257 0 ] [ 0.000906 0.809924 0.334277 ] [ 0.000906 0.809924 0.665723 ] [ 0.497213 0.68743 0 ] [ 0.500906 0.690076 0.334277 ] [ 0.500906 0.690076 0.665723 ] [ 0.203742 0.5 0.5 ] [ 0.497213 0.31257 0 ] [ 0.500906 0.309924 0.334277 ] [ 0.500906 0.309924 0.665723 ] ] } "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" "F" "F" "F" "F" "F" "F" "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" 6.3594951 "source-unit" "angstrom" } "b" { "source-value" 7.2840194 "source-unit" "angstrom" } "c" { "source-value" 9.31959508 "source-unit" "angstrom" } }