{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0 0.867968 ] [ 0.25 0 0.132032 ] [ 0.25 0.5 0.367968 ] [ 0.75 0.5 0.632032 ] [ 0.025817 0 0.754694 ] [ 0.474183 0 0.754694 ] [ 0.25 0.776206 0.014372 ] [ 0.25 0.223794 0.014372 ] [ 0.75 0.223794 0.985628 ] [ 0.75 0.776206 0.985628 ] [ 0.974183 0 0.245306 ] [ 0.525817 0 0.245306 ] [ 0.525817 0.5 0.254694 ] [ 0.974183 0.5 0.254694 ] [ 0.75 0.276206 0.514372 ] [ 0.75 0.723794 0.514372 ] [ 0.25 0.723794 0.485628 ] [ 0.25 0.276206 0.485628 ] [ 0.474183 0.5 0.745306 ] [ 0.025817 0.5 0.745306 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "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" 5.82314963 "source-unit" "angstrom" } "b" { "source-value" 5.97426761 "source-unit" "angstrom" } "c" { "source-value" 8.44705754 "source-unit" "angstrom" } }