{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.251749 0.149543 ] [ 0.75 0.751749 0.350457 ] [ 0.25 0.248251 0.649543 ] [ 0.25 0.748251 0.850457 ] [ 0.75 0.933742 0.117844 ] [ 0.25 0.584207 0.104113 ] [ 0.75 0.433742 0.382156 ] [ 0.25 0.084207 0.395887 ] [ 0.75 0.915793 0.604113 ] [ 0.25 0.566258 0.617844 ] [ 0.75 0.415793 0.895887 ] [ 0.25 0.066258 0.882156 ] [ 0.75 0.622961 0.972772 ] [ 0.25 0.377039 0.027228 ] [ 0.25 0.086331 0.072357 ] [ 0.25 0.792188 0.175529 ] [ 0.75 0.525799 0.21647 ] [ 0.75 0.025799 0.28353 ] [ 0.25 0.292188 0.324471 ] [ 0.25 0.586331 0.427643 ] [ 0.25 0.877039 0.472772 ] [ 0.75 0.122961 0.527228 ] [ 0.75 0.413669 0.572357 ] [ 0.75 0.707812 0.675529 ] [ 0.25 0.974201 0.71647 ] [ 0.25 0.474201 0.78353 ] [ 0.75 0.207812 0.824471 ] [ 0.75 0.913669 0.927643 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "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" 3.00654415 "source-unit" "angstrom" } "b" { "source-value" 9.26250968 "source-unit" "angstrom" } "c" { "source-value" 10.70964738 "source-unit" "angstrom" } }