{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.575392 0.718218 0.085103 ] [ 0.644423 0.780606 0.670164 ] [ 0.355577 0.219394 0.329836 ] [ 0.424608 0.281782 0.914897 ] [ 0.102276 0.716333 0.586623 ] [ 0.897724 0.283667 0.413377 ] [ 0.663583 0.05636 0.095325 ] [ 0.858439 0.948932 0.388515 ] [ 0.604307 0.438667 0.644261 ] [ 0.336417 0.94364 0.904675 ] [ 0.395693 0.561333 0.355739 ] [ 0.141561 0.051068 0.611485 ] [ 0.90005 0.534482 0.854622 ] [ 0.09995 0.465518 0.145378 ] [ 0.858451 0.6144 0.411107 ] [ 0.599202 0.11499 0.651783 ] [ 0.641939 0.389533 0.105045 ] [ 0.358061 0.610467 0.894955 ] [ 0.400798 0.88501 0.348217 ] [ 0.112915 0.12487 0.148784 ] [ 0.141549 0.3856 0.588893 ] [ 0.887085 0.87513 0.851216 ] [ 0.783609 0.11023 0.540162 ] [ 0.695403 0.891925 0.959434 ] [ 0.762941 0.509937 0.068179 ] [ 0.810947 0.732963 0.489867 ] [ 0.529742 0.236559 0.7278 ] [ 0.685324 0.27484 0.021946 ] [ 0.718975 0.502305 0.433062 ] [ 0.483809 0.992422 0.688167 ] [ 0.530387 0.605417 0.779255 ] [ 0.304597 0.108075 0.040566 ] [ 0.516191 0.007578 0.311833 ] [ 0.314676 0.72516 0.978054 ] [ 0.470258 0.763441 0.2722 ] [ 0.237059 0.490063 0.931821 ] [ 0.469613 0.394583 0.220745 ] [ 0.216391 0.88977 0.459838 ] [ 0.281025 0.497695 0.566938 ] [ 0.027309 0.983777 0.823778 ] [ 0.072551 0.241127 0.23121 ] [ 0.189053 0.267037 0.510133 ] [ 0.927449 0.758873 0.76879 ] [ 0.972691 0.016223 0.176222 ] [ 0.058094 0.589303 0.313055 ] [ 0.941906 0.410697 0.686945 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.89372378 "source-unit" "angstrom" } "b" { "source-value" 9.07375311 "source-unit" "angstrom" } "c" { "source-value" 9.84392876 "source-unit" "angstrom" } "alpha" { "source-value" 81.82087222 "source-unit" "degree" } "beta" { "source-value" 80.15443604 "source-unit" "degree" } "gamma" { "source-value" 77.22773115 "source-unit" "degree" } }