{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.089898 0.25 ] [ 0.25 0.575521 0.25 ] [ 0.25 0.910102 0.75 ] [ 0.75 0.424479 0.75 ] [ 0.75 0.755087 0.75 ] [ 0.75 0.105549 0.909364 ] [ 0.75 0.105549 0.590636 ] [ 0.25 0.894451 0.090636 ] [ 0.25 0.894451 0.409364 ] [ 0.25 0.561518 0.907579 ] [ 0.25 0.561518 0.592421 ] [ 0.25 0.244913 0.25 ] [ 0.75 0.438482 0.092421 ] [ 0.75 0.438482 0.407579 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.34992615 "source-unit" "angstrom" } "b" { "source-value" 5.76448726 "source-unit" "angstrom" } "c" { "source-value" 6.03584425 "source-unit" "angstrom" } }