{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.33172 0.002752 0.72588 ] [ 0.002726 0.013301 0.745703 ] [ 0.997274 0.013301 0.254297 ] [ 0.329729 0.98513 0.191721 ] [ 0.66828 0.002752 0.27412 ] [ 0.670271 0.98513 0.808279 ] [ 0.83172 0.502752 0.72588 ] [ 0.502726 0.513301 0.745703 ] [ 0.497274 0.513301 0.254297 ] [ 0.829729 0.48513 0.191721 ] [ 0.16828 0.502752 0.27412 ] [ 0.170271 0.48513 0.808279 ] [ 0.841601 0.779345 0.0056 ] [ 0.864834 0.875223 0.503354 ] [ 0.158399 0.779345 0.9944 ] [ 0.135166 0.875223 0.496646 ] [ 0 0.308613 0.5 ] [ 0 0.404991 0 ] [ 0.341601 0.279345 0.0056 ] [ 0.364834 0.375223 0.503354 ] [ 0.658399 0.279345 0.9944 ] [ 0.635166 0.375223 0.496646 ] [ 0.5 0.808613 0.5 ] [ 0.5 0.904991 0 ] [ 0.17006 0.168063 0.258824 ] [ 0.9971 0.649024 0.301063 ] [ 0.834632 0.17215 0.238598 ] [ 0.82994 0.168063 0.741176 ] [ 0.0029 0.649024 0.698937 ] [ 0.165368 0.17215 0.761402 ] [ 0.67006 0.668063 0.258824 ] [ 0.4971 0.149024 0.301063 ] [ 0.334632 0.67215 0.238598 ] [ 0.32994 0.668063 0.741176 ] [ 0.5029 0.149024 0.698937 ] [ 0.665368 0.67215 0.761402 ] [ 0.951738 0.779539 0.241063 ] [ 0.259417 0.172178 0.199987 ] [ 0.917969 0.659905 0.626356 ] [ 0.127609 0.026678 0.254646 ] [ 0.200934 0.035524 0.70707 ] [ 0.458528 0.004914 0.282307 ] [ 0.37898 0.046583 0.958501 ] [ 0 0.984415 0.5 ] [ 0.276003 0.788222 0.186317 ] [ 0.870483 0.296141 0.677361 ] [ 0.048262 0.779539 0.758937 ] [ 0.740583 0.172178 0.800013 ] [ 0.082031 0.659905 0.373644 ] [ 0.927833 0.196368 0.236894 ] [ 0.872391 0.026678 0.745354 ] [ 0.799066 0.035524 0.29293 ] [ 0.541472 0.004914 0.717693 ] [ 0.62102 0.046583 0.041499 ] [ 0.723997 0.788222 0.813683 ] [ 0.129517 0.296141 0.322639 ] [ 0.072167 0.196368 0.763106 ] [ 0.451738 0.279539 0.241063 ] [ 0.759417 0.672178 0.199987 ] [ 0.417969 0.159905 0.626356 ] [ 0.627609 0.526678 0.254646 ] [ 0.700934 0.535524 0.70707 ] [ 0.958528 0.504914 0.282307 ] [ 0.87898 0.546583 0.958501 ] [ 0.5 0.484415 0.5 ] [ 0.776003 0.288222 0.186317 ] [ 0.370483 0.796141 0.677361 ] [ 0.548262 0.279539 0.758937 ] [ 0.240583 0.672178 0.800013 ] [ 0.582031 0.159905 0.373644 ] [ 0.427833 0.696368 0.236894 ] [ 0.372391 0.526678 0.745354 ] [ 0.299066 0.535524 0.29293 ] [ 0.041472 0.504914 0.717693 ] [ 0.12102 0.546583 0.041499 ] [ 0.223997 0.288222 0.813683 ] [ 0.629517 0.796141 0.322639 ] [ 0.572167 0.696368 0.763106 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 14.77527461 "source-unit" "angstrom" } "b" { "source-value" 8.81425924 "source-unit" "angstrom" } "c" { "source-value" 7.77646278 "source-unit" "angstrom" } "beta" { "source-value" 90.59923816 "source-unit" "degree" } }