{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.984209 0.85966 0.308032 ] [ 0.015791 0.14034 0.691968 ] [ 0.484209 0.64034 0.808032 ] [ 0 0.5 0 ] [ 0.515791 0.35966 0.191968 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.527985 0.318771 0.722947 ] [ 0.472015 0.681229 0.277053 ] [ 0.972015 0.818771 0.777053 ] [ 0.027985 0.181229 0.222947 ] [ 0.784017 0.644014 0.307782 ] [ 0.068779 0.358616 0.250536 ] [ 0.931221 0.641384 0.749464 ] [ 0.845538 0.902512 0.588903 ] [ 0.654462 0.402512 0.911097 ] [ 0.830583 0.865189 0.975563 ] [ 0.215983 0.355986 0.692218 ] [ 0.669417 0.365189 0.524437 ] [ 0.154462 0.097488 0.411097 ] [ 0.568779 0.141384 0.750536 ] [ 0.431221 0.858616 0.249464 ] [ 0.345538 0.597488 0.088903 ] [ 0.330583 0.634811 0.475563 ] [ 0.284017 0.855986 0.807782 ] [ 0.169417 0.134811 0.024437 ] [ 0.715983 0.144014 0.192218 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "P" "P" "P" "P" "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" 4.92011834583 "source-unit" "angstrom" } "b" { "source-value" 8.75635351 "source-unit" "angstrom" } "c" { "source-value" 6.48883816756 "source-unit" "angstrom" } "beta" { "source-value" 94.3775801771 "source-unit" "degree" } }