{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.947839 0.25 ] [ 0 0.052161 0.75 ] [ 0.5 0.049658 0.25 ] [ 0.5 0.950342 0.75 ] [ 0.5 0.819713 0.25 ] [ 0.5 0.180287 0.75 ] [ 0.5 0.447839 0.25 ] [ 0.5 0.552161 0.75 ] [ 0 0.549658 0.25 ] [ 0 0.450342 0.75 ] [ 0 0.319713 0.25 ] [ 0 0.680287 0.75 ] [ 0 0.158167 0.25 ] [ 0 0.841833 0.75 ] [ 0.5 0.658167 0.25 ] [ 0.5 0.341833 0.75 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67683600573 "source-unit" "angstrom" } "b" { "source-value" 15.4286462377 "source-unit" "angstrom" } "c" { "source-value" 3.64754629 "source-unit" "angstrom" } }