{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.456365 0.336386 ] [ 0.25 0.543635 0.663614 ] [ 0.75 0.956365 0.163614 ] [ 0.25 0.043635 0.836386 ] [ 0.75 0.363968 0.940425 ] [ 0.25 0.636032 0.059575 ] [ 0.75 0.863968 0.559575 ] [ 0.25 0.136032 0.440425 ] [ 0.75 0.752252 0.863316 ] [ 0.25 0.247748 0.136684 ] [ 0.75 0.252252 0.636684 ] [ 0.25 0.747748 0.363316 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "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" 3.6933247 "source-unit" "angstrom" } "b" { "source-value" 6.25689422 "source-unit" "angstrom" } "c" { "source-value" 7.60464178 "source-unit" "angstrom" } }