{ "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" [ [ 0.771581 0.259275 0.88907 ] [ 0.234529 0.479391 0.703488 ] [ 0.774836 0.743036 0.642892 ] [ 0.225164 0.243036 0.357108 ] [ 0.765471 0.979391 0.296512 ] [ 0.228419 0.759275 0.11093 ] [ 0.244372 0.987369 0.742179 ] [ 0.755628 0.487369 0.257821 ] [ 0.723719 0.256938 0.588985 ] [ 0.276281 0.756938 0.411015 ] [ 0.707325 0.753935 0.961148 ] [ 0.292675 0.253935 0.038852 ] [ 0.957152 0.755824 0.938205 ] [ 0.36878 0.229167 0.895448 ] [ 0.520435 0.771938 0.847095 ] [ 0.835326 0.063993 0.682516 ] [ 0.830987 0.442159 0.689343 ] [ 0.177648 0.753264 0.578967 ] [ 0.410882 0.25371 0.574586 ] [ 0.589118 0.75371 0.425414 ] [ 0.822352 0.253264 0.421033 ] [ 0.169013 0.942159 0.310657 ] [ 0.164674 0.563993 0.317484 ] [ 0.479565 0.271938 0.152905 ] [ 0.63122 0.729167 0.104552 ] [ 0.042848 0.255824 0.061795 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "P" "P" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.97935413 "source-unit" "angstrom" } "b" { "source-value" 6.49733695 "source-unit" "angstrom" } "c" { "source-value" 8.57276693 "source-unit" "angstrom" } "beta" { "source-value" 95.05166364 "source-unit" "degree" } }