{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.48507 0.603804 0.534551 ] [ 0.98507 0.896196 0.465449 ] [ 0.51493 0.103804 0.965449 ] [ 0.01493 0.396196 0.034551 ] [ 0.958636 0.781272 0.871342 ] [ 0.458636 0.718728 0.128658 ] [ 0.041364 0.281272 0.628658 ] [ 0.541364 0.218728 0.371342 ] [ 0.462835 0.99563 0.652269 ] [ 0.962835 0.50437 0.347731 ] [ 0.537165 0.49563 0.847731 ] [ 0.037165 0.00437 0.152269 ] [ 0.254366 0.088544 0.504035 ] [ 0.754366 0.411456 0.495965 ] [ 0.745634 0.588544 0.995965 ] [ 0.245634 0.911456 0.004035 ] [ 0.735089 0.116829 0.568823 ] [ 0.235089 0.383171 0.431177 ] [ 0.264911 0.616829 0.931177 ] [ 0.764911 0.883171 0.068823 ] [ 0.59294 0.842173 0.531843 ] [ 0.09294 0.657827 0.468157 ] [ 0.40706 0.342173 0.968157 ] [ 0.90706 0.157827 0.031843 ] [ 0.193674 0.857554 0.264342 ] [ 0.693674 0.642446 0.735658 ] [ 0.806326 0.357554 0.235658 ] [ 0.306326 0.142446 0.764342 ] [ 0.824704 0.046353 0.301614 ] [ 0.324704 0.453647 0.698386 ] [ 0.175296 0.546353 0.198386 ] [ 0.675296 0.953647 0.801614 ] [ 0.321961 0.137426 0.181169 ] [ 0.821961 0.362574 0.818831 ] [ 0.678039 0.637426 0.318831 ] [ 0.178039 0.862574 0.681169 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "W" "W" "W" "W" "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" 5.23894951 "source-unit" "angstrom" } "b" { "source-value" 9.10375982 "source-unit" "angstrom" } "c" { "source-value" 9.92868536 "source-unit" "angstrom" } }