{ "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" [ [ 0.68945 0.000731 0.017155 ] [ 0.809203 0.001266 0.493174 ] [ 0.68945 0.499269 0.517155 ] [ 0.809203 0.498734 0.993174 ] [ 0.190797 0.501266 0.006826 ] [ 0.31055 0.500731 0.482845 ] [ 0.190797 0.998734 0.506826 ] [ 0.31055 0.999269 0.982845 ] [ 0.958879 0.710891 0.408529 ] [ 0.862311 0.758636 0.181085 ] [ 0.74968 0.276825 0.324238 ] [ 0.958879 0.789109 0.908529 ] [ 0.862311 0.741364 0.681085 ] [ 0.529949 0.28507 0.095464 ] [ 0.74968 0.223175 0.824238 ] [ 0.470051 0.78507 0.404536 ] [ 0.529949 0.21493 0.595464 ] [ 0.25032 0.776825 0.175762 ] [ 0.470051 0.71493 0.904536 ] [ 0.137689 0.258636 0.318915 ] [ 0.041121 0.210891 0.091471 ] [ 0.25032 0.723175 0.675762 ] [ 0.137689 0.241364 0.818915 ] [ 0.041121 0.289109 0.591471 ] [ 0.944706 0.331774 0.313211 ] [ 0.86932 0.13901 0.092678 ] [ 0.991481 0.870195 0.449079 ] [ 0.841115 0.623044 0.116542 ] [ 0.840958 0.71198 0.289632 ] [ 0.867496 0.620046 0.473311 ] [ 0.726059 0.871445 0.139489 ] [ 0.944706 0.168226 0.813211 ] [ 0.86932 0.36099 0.592678 ] [ 0.991481 0.629805 0.949079 ] [ 0.645176 0.377252 0.04574 ] [ 0.765722 0.123133 0.367659 ] [ 0.841115 0.876956 0.616542 ] [ 0.840958 0.78802 0.789632 ] [ 0.68864 0.381981 0.393049 ] [ 0.618035 0.277822 0.219281 ] [ 0.867496 0.879954 0.973311 ] [ 0.645085 0.858594 0.419541 ] [ 0.507972 0.126876 0.052185 ] [ 0.726059 0.628555 0.639489 ] [ 0.645176 0.122748 0.54574 ] [ 0.765722 0.376867 0.867659 ] [ 0.68864 0.118019 0.893049 ] [ 0.618035 0.222178 0.719281 ] [ 0.492028 0.626876 0.447815 ] [ 0.354915 0.358594 0.080459 ] [ 0.645085 0.641406 0.919541 ] [ 0.507972 0.373124 0.552185 ] [ 0.381965 0.777822 0.280719 ] [ 0.31136 0.881981 0.106951 ] [ 0.234278 0.623133 0.132341 ] [ 0.354824 0.877252 0.45426 ] [ 0.273941 0.371445 0.360511 ] [ 0.492028 0.873124 0.947815 ] [ 0.354915 0.141406 0.580459 ] [ 0.132504 0.120046 0.026689 ] [ 0.381965 0.722178 0.780719 ] [ 0.31136 0.618019 0.606951 ] [ 0.159042 0.21198 0.210368 ] [ 0.158885 0.123044 0.383458 ] [ 0.234278 0.876867 0.632341 ] [ 0.354824 0.622748 0.95426 ] [ 0.008519 0.370195 0.050921 ] [ 0.13068 0.63901 0.407322 ] [ 0.055294 0.831774 0.186789 ] [ 0.273941 0.128555 0.860511 ] [ 0.132504 0.379954 0.526689 ] [ 0.159042 0.28802 0.710368 ] [ 0.158885 0.376956 0.883458 ] [ 0.008519 0.129805 0.550921 ] [ 0.13068 0.86099 0.907322 ] [ 0.055294 0.668226 0.686789 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" "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" 8.51344255 "source-unit" "angstrom" } "b" { "source-value" 9.60754192 "source-unit" "angstrom" } "c" { "source-value" 14.87174343 "source-unit" "angstrom" } "beta" { "source-value" 102.69042633 "source-unit" "degree" } }