{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.832609 0.684345 ] [ 0.25 0.167391 0.315655 ] [ 0.25 0.332609 0.815655 ] [ 0.75 0.667391 0.184345 ] [ 0.25 0.821335 0.914405 ] [ 0.25 0.678665 0.414405 ] [ 0.75 0.321335 0.585595 ] [ 0.75 0.178665 0.085595 ] [ 0.75 0.013014 0.970562 ] [ 0.463942 0.801887 0.436982 ] [ 0.536058 0.301887 0.063018 ] [ 0.963942 0.301887 0.063018 ] [ 0.463942 0.698113 0.936982 ] [ 0.25 0.513014 0.529438 ] [ 0.536058 0.198113 0.563018 ] [ 0.25 0.986986 0.029438 ] [ 0.963942 0.198113 0.563018 ] [ 0.75 0.486986 0.470562 ] [ 0.036058 0.698113 0.936982 ] [ 0.25 0.600767 0.247534 ] [ 0.036058 0.801887 0.436982 ] [ 0.75 0.100767 0.252466 ] [ 0.75 0.399233 0.752466 ] [ 0.25 0.899233 0.747534 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "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" 6.16818313 "source-unit" "angstrom" } "b" { "source-value" 7.48005199 "source-unit" "angstrom" } "c" { "source-value" 9.0320844 "source-unit" "angstrom" } }