{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.007569 0.798476 ] [ 0.25 0.992431 0.201524 ] [ 0.75 0.507569 0.701524 ] [ 0.25 0.492431 0.298476 ] [ 0.25 0.299842 0.9042 ] [ 0.75 0.700158 0.0958 ] [ 0.25 0.799842 0.5958 ] [ 0.75 0.200158 0.4042 ] [ 0.25 0.681396 0.922762 ] [ 0.75 0.318604 0.077238 ] [ 0.25 0.181396 0.577238 ] [ 0.75 0.818604 0.422762 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01019247 "source-unit" "angstrom" } "b" { "source-value" 6.43904197 "source-unit" "angstrom" } "c" { "source-value" 6.95292076 "source-unit" "angstrom" } }