{ "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" [ [ 0.179397 0.201112 0.561334 ] [ 0.179397 0.201112 0.938666 ] [ 0.320603 0.701112 0.561334 ] [ 0.320603 0.701112 0.938666 ] [ 0.679397 0.298888 0.061334 ] [ 0.679397 0.298888 0.438666 ] [ 0.820603 0.798888 0.061334 ] [ 0.820603 0.798888 0.438666 ] [ 0.093612 0.955062 0.75 ] [ 0.176672 0.45263 0.125808 ] [ 0.176672 0.45263 0.374192 ] [ 0.323328 0.95263 0.125808 ] [ 0.323328 0.95263 0.374192 ] [ 0.406388 0.455062 0.75 ] [ 0.593612 0.544938 0.25 ] [ 0.676672 0.04737 0.625808 ] [ 0.676672 0.04737 0.874192 ] [ 0.823328 0.54737 0.625808 ] [ 0.823328 0.54737 0.874192 ] [ 0.906388 0.044938 0.25 ] [ 0.023744 0.293417 0.094778 ] [ 0.023744 0.293417 0.405222 ] [ 0.06604 0.162447 0.75 ] [ 0.090888 0.627414 0.074969 ] [ 0.090888 0.627414 0.425031 ] [ 0.144975 0.926869 0.03829 ] [ 0.144975 0.926869 0.46171 ] [ 0.243791 0.945649 0.850002 ] [ 0.243791 0.945649 0.649998 ] [ 0.256209 0.445649 0.850002 ] [ 0.256209 0.445649 0.649998 ] [ 0.355025 0.426869 0.03829 ] [ 0.355025 0.426869 0.46171 ] [ 0.409112 0.127414 0.074969 ] [ 0.409112 0.127414 0.425031 ] [ 0.43396 0.662447 0.75 ] [ 0.476256 0.793417 0.094778 ] [ 0.476256 0.793417 0.405222 ] [ 0.523744 0.206583 0.594778 ] [ 0.523744 0.206583 0.905222 ] [ 0.56604 0.337553 0.25 ] [ 0.590888 0.872586 0.574969 ] [ 0.590888 0.872586 0.925031 ] [ 0.644975 0.573131 0.53829 ] [ 0.644975 0.573131 0.96171 ] [ 0.743791 0.554351 0.149998 ] [ 0.743791 0.554351 0.350002 ] [ 0.756209 0.054351 0.149998 ] [ 0.756209 0.054351 0.350002 ] [ 0.855025 0.073131 0.53829 ] [ 0.855025 0.073131 0.96171 ] [ 0.909112 0.372586 0.574969 ] [ 0.909112 0.372586 0.925031 ] [ 0.93396 0.837553 0.25 ] [ 0.976256 0.706583 0.594778 ] [ 0.976256 0.706583 0.905222 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.82865616 "source-unit" "angstrom" } "b" { "source-value" 8.22098242 "source-unit" "angstrom" } "c" { "source-value" 14.03136137 "source-unit" "angstrom" } }