{ "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" [ [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.75 0.548388 0.339982 ] [ 0.25 0.451612 0.660018 ] [ 0.25 0.048388 0.160018 ] [ 0.75 0.951612 0.839982 ] [ 0.75 0.542619 0.654303 ] [ 0.25 0.457381 0.345697 ] [ 0.75 0.957381 0.154303 ] [ 0.25 0.042619 0.845697 ] [ 0.75 0.328494 0.409153 ] [ 0.456043 0.602883 0.350351 ] [ 0.75 0.815243 0.027895 ] [ 0.25 0.315243 0.472105 ] [ 0.75 0.487774 0.186415 ] [ 0.75 0.650208 0.794846 ] [ 0.956043 0.397117 0.649649 ] [ 0.75 0.012226 0.686415 ] [ 0.043957 0.897117 0.850351 ] [ 0.75 0.849792 0.294846 ] [ 0.543957 0.102883 0.149649 ] [ 0.956043 0.102883 0.149649 ] [ 0.25 0.987774 0.313585 ] [ 0.25 0.349792 0.205154 ] [ 0.75 0.684757 0.527895 ] [ 0.25 0.512226 0.813585 ] [ 0.25 0.184757 0.972105 ] [ 0.043957 0.602883 0.350351 ] [ 0.75 0.171506 0.909153 ] [ 0.456043 0.897117 0.850351 ] [ 0.25 0.150208 0.705154 ] [ 0.25 0.671506 0.590847 ] [ 0.543957 0.397117 0.649649 ] [ 0.25 0.828494 0.090847 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mo" "Mo" "Mo" "Mo" "As" "As" "As" "As" "O" "O" "O" "O" "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" 6.75935019 "source-unit" "angstrom" } "b" { "source-value" 7.13962604 "source-unit" "angstrom" } "c" { "source-value" 10.94219996 "source-unit" "angstrom" } }