{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.348695 0 0.5 ] [ 0.651305 0 0.5 ] [ 0 0.186859 0.5 ] [ 0 0.813141 0.5 ] [ 0.848695 0.5 0.5 ] [ 0.151305 0.5 0.5 ] [ 0.5 0.686859 0.5 ] [ 0.5 0.313141 0.5 ] [ 0 0 0 ] [ 0.892638 0.676938 0 ] [ 0.107362 0.323062 0 ] [ 0.107362 0.676938 0 ] [ 0.892638 0.323062 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.183037 0.108345 0 ] [ 0.816963 0.891655 0 ] [ 0.816963 0.108345 0 ] [ 0.183037 0.891655 0 ] [ 0.123985 0 0.5 ] [ 0.876015 0 0.5 ] [ 0.5 0.5 0 ] [ 0.392638 0.176938 0 ] [ 0.607362 0.823062 0 ] [ 0.607362 0.176938 0 ] [ 0.392638 0.823062 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.683037 0.608345 0 ] [ 0.316963 0.391655 0 ] [ 0.316963 0.608345 0 ] [ 0.683037 0.391655 0 ] [ 0.623985 0.5 0.5 ] [ 0.376015 0.5 0.5 ] [ 0 0.556762 0 ] [ 0 0.443238 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.5 0.056762 0 ] [ 0.5 0.943238 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.65904846 "source-unit" "angstrom" } "b" { "source-value" 11.9155933 "source-unit" "angstrom" } "c" { "source-value" 3.83536375 "source-unit" "angstrom" } }