{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.393803 ] [ 0 0.5 0.606197 ] [ 0 0.709717 0.259225 ] [ 0 0.290283 0.259225 ] [ 0.5 0.209717 0.740775 ] [ 0.5 0.790283 0.740775 ] [ 0.5 0.5 0.042502 ] [ 0 0 0.957498 ] [ 0.5 0.311418 0.941389 ] [ 0.755645 0.817839 0.333443 ] [ 0.255645 0.682161 0.666557 ] [ 0.744355 0.317839 0.666557 ] [ 0.5 0.688582 0.941389 ] [ 0.255645 0.317839 0.666557 ] [ 0.244355 0.182161 0.333443 ] [ 0.744355 0.682161 0.666557 ] [ 0.74202 0 0.854924 ] [ 0.75798 0.5 0.145076 ] [ 0 0.5 0.380652 ] [ 0.244355 0.817839 0.333443 ] [ 0 0.188582 0.058611 ] [ 0 0.811418 0.058611 ] [ 0.25798 0 0.854924 ] [ 0.5 0 0.619348 ] [ 0.755645 0.182161 0.333443 ] [ 0.24202 0.5 0.145076 ] ] } "species" { "source-value" [ "Li" "Li" "Mo" "Mo" "Mo" "Mo" "As" "As" "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" 5.54373841 "source-unit" "angstrom" } "b" { "source-value" 7.72934078 "source-unit" "angstrom" } "c" { "source-value" 9.10571862 "source-unit" "angstrom" } }