{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.797026 0.605815 0.790406 ] [ 0.193939 0.372551 0.201982 ] [ 0.578773 0.209897 0.596011 ] [ 0.0196 0.015016 0.91012 ] [ 0.353516 0.794132 0.38804 ] [ 0.415885 0.905813 0.768535 ] [ 0.978903 0.768877 0.066296 ] [ 0.207333 0.531595 0.489854 ] [ 0.001543 0.922892 0.676404 ] [ 0.646647 0.27272 0.910792 ] [ 0.497273 0.676088 0.146889 ] [ 0.046976 0.043585 0.319017 ] [ 0.672696 0.561869 0.471864 ] [ 0.104305 0.295552 0.922276 ] [ 0.478309 0.034268 0.366776 ] ] } "species" { "source-value" [ "La" "La" "La" "Mo" "Mo" "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" 5.66825698 "source-unit" "angstrom" } "b" { "source-value" 6.30019436 "source-unit" "angstrom" } "c" { "source-value" 7.32080051 "source-unit" "angstrom" } "alpha" { "source-value" 79.21097521 "source-unit" "degree" } "beta" { "source-value" 67.2985047 "source-unit" "degree" } "gamma" { "source-value" 65.52501263 "source-unit" "degree" } }