{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.075326 0.479655 0.836688 ] [ 0.408094 0.50977 0.163293 ] [ 0.747503 0.513027 0.510346 ] [ 0.591906 0.00977 0.836707 ] [ 0.252497 0.013027 0.489654 ] [ 0.924674 0.979655 0.163312 ] [ 0.544584 0.191594 0.603106 ] [ 0.880557 0.19074 0.948778 ] [ 0.208855 0.19633 0.259516 ] [ 0.378669 0.308393 0.931039 ] [ 0.044085 0.308102 0.60714 ] [ 0.791145 0.69633 0.740484 ] [ 0.455416 0.691594 0.396894 ] [ 0.119443 0.69074 0.051222 ] [ 0.955915 0.808102 0.39286 ] [ 0.621331 0.808393 0.068961 ] [ 0.714749 0.30239 0.270496 ] [ 0.285251 0.80239 0.729504 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.53528087 "source-unit" "angstrom" } "b" { "source-value" 4.63895523 "source-unit" "angstrom" } "c" { "source-value" 7.59296164 "source-unit" "angstrom" } "beta" { "source-value" 94.56376976 "source-unit" "degree" } }