{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.666739 0 0.16656 ] [ 0.334818 0 0.339509 ] [ 0.660093 0 0.668131 ] [ 0.999025 0 0.499893 ] [ 0.336902 0 0.828457 ] [ 0.001736 0 0.999397 ] [ 0.166739 0.5 0.16656 ] [ 0.834818 0.5 0.339509 ] [ 0.160093 0.5 0.668131 ] [ 0.499025 0.5 0.499893 ] [ 0.836902 0.5 0.828457 ] [ 0.501736 0.5 0.999397 ] [ 0.433802 0 0.629637 ] [ 0.933802 0.5 0.629637 ] [ 0.833987 0.803833 0.332985 ] [ 0.165463 0.804192 0.666977 ] [ 0.894326 0 0.700869 ] [ 0.236112 0 0.03657 ] [ 0.56642 0 0.368656 ] [ 0.101165 0 0.297426 ] [ 0.768627 0 0.965004 ] [ 0.000667 0.697103 0.999983 ] [ 0.833987 0.196167 0.332985 ] [ 0.165463 0.195808 0.666977 ] [ 0.000667 0.302897 0.999983 ] [ 0.333987 0.303833 0.332985 ] [ 0.665463 0.304192 0.666977 ] [ 0.394326 0.5 0.700869 ] [ 0.736112 0.5 0.03657 ] [ 0.06642 0.5 0.368656 ] [ 0.601165 0.5 0.297426 ] [ 0.268627 0.5 0.965004 ] [ 0.500667 0.197103 0.999983 ] [ 0.333987 0.696167 0.332985 ] [ 0.665463 0.695808 0.666977 ] [ 0.500667 0.802897 0.999983 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.07764986 "source-unit" "angstrom" } "b" { "source-value" 6.6815773 "source-unit" "angstrom" } "c" { "source-value" 7.30872933 "source-unit" "angstrom" } "beta" { "source-value" 111.61593566 "source-unit" "degree" } }