{ "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" [ [ 0.665749 0.868359 0.385552 ] [ 0.334251 0.368359 0.614448 ] [ 0.229134 0.745555 0.23159 ] [ 0.770866 0.245555 0.76841 ] [ 0.898917 0.667295 0.887044 ] [ 0.433404 0.374819 0.09428 ] [ 0.566596 0.874819 0.90572 ] [ 0.98573 0.887503 0.600075 ] [ 0.623187 0.50344 0.40131 ] [ 0.101083 0.167295 0.112956 ] [ 0.376813 0.00344 0.59869 ] [ 0.01427 0.387503 0.399925 ] [ 0.840934 0.501745 0.374263 ] [ 0.811318 0.985511 0.590337 ] [ 0.549807 0.372631 0.271157 ] [ 0.434075 0.847032 0.042323 ] [ 0.00558 0.780629 0.452876 ] [ 0.995378 0.294685 0.224705 ] [ 0.004622 0.794685 0.775295 ] [ 0.96963 0.69452 0.064663 ] [ 0.91295 0.507976 0.810362 ] [ 0.99442 0.280629 0.547124 ] [ 0.581363 0.447657 0.574033 ] [ 0.441086 0.164223 0.652187 ] [ 0.159066 0.001745 0.625737 ] [ 0.418637 0.947657 0.425967 ] [ 0.31653 0.217118 0.125362 ] [ 0.03037 0.19452 0.935337 ] [ 0.08705 0.007976 0.189638 ] [ 0.450193 0.872631 0.728843 ] [ 0.558914 0.664223 0.347813 ] [ 0.310162 0.515501 0.075196 ] [ 0.565925 0.347032 0.957677 ] [ 0.68347 0.717118 0.874638 ] [ 0.188682 0.485511 0.409663 ] [ 0.689838 0.015501 0.924804 ] ] } "species" { "source-value" [ "Li" "Li" "Bi" "Bi" "P" "P" "P" "P" "P" "P" "P" "P" "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" 7.22076821 "source-unit" "angstrom" } "b" { "source-value" 8.54358636 "source-unit" "angstrom" } "c" { "source-value" 7.99078852 "source-unit" "angstrom" } "beta" { "source-value" 92.27326729 "source-unit" "degree" } }