{ "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 0.077241 0.101692 ] [ 0.75 0.422759 0.601692 ] [ 0.25 0.577241 0.398308 ] [ 0.25 0.922759 0.898308 ] [ 0.25 0.399814 0.074386 ] [ 0.75 0.618487 0.208094 ] [ 0.75 0.881513 0.708094 ] [ 0.25 0.118487 0.291906 ] [ 0.75 0.600186 0.925614 ] [ 0.75 0.899814 0.425614 ] [ 0.25 0.100186 0.574386 ] [ 0.25 0.381513 0.791906 ] [ 0.25 0.808282 0.150018 ] [ 0.75 0.191718 0.849982 ] [ 0.75 0.308282 0.349982 ] [ 0.25 0.691718 0.650018 ] [ 0.25 0.423758 0.600699 ] [ 0.75 0.576242 0.399301 ] [ 0.75 0.923758 0.899301 ] [ 0.25 0.076242 0.100699 ] [ 0.999899 0.858871 0.275385 ] [ 0.499899 0.141129 0.724615 ] [ 0.000101 0.358871 0.224615 ] [ 0.500101 0.641129 0.775385 ] [ 0.000101 0.141129 0.724615 ] [ 0.500101 0.858871 0.275385 ] [ 0.999899 0.641129 0.775385 ] [ 0.499899 0.358871 0.224615 ] [ 0.499099 0.662331 0.066214 ] [ 0.999099 0.337669 0.933786 ] [ 0.500901 0.162331 0.433786 ] [ 0.000901 0.837669 0.566214 ] [ 0.999099 0.162331 0.433786 ] [ 0.499099 0.837669 0.566214 ] [ 0.000901 0.662331 0.066214 ] [ 0.500901 0.337669 0.933786 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Zn" "Zn" "Zn" "Zn" "O" "O" "O" "O" "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" 5.74187297 "source-unit" "angstrom" } "b" { "source-value" 7.12283818 "source-unit" "angstrom" } "c" { "source-value" 12.40011577 "source-unit" "angstrom" } }