{ "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" [ [ 0.590113 0.07678 0.427568 ] [ 0.903089 0.70045 0.838774 ] [ 0.409887 0.57678 0.072432 ] [ 0.096911 0.20045 0.661226 ] [ 0.903089 0.79955 0.338774 ] [ 0.590113 0.42322 0.927568 ] [ 0.096911 0.29955 0.161226 ] [ 0.409887 0.92322 0.572432 ] [ 0.254048 0.148894 0.017476 ] [ 0.745952 0.648894 0.482524 ] [ 0.254048 0.351106 0.517476 ] [ 0.745952 0.851106 0.982524 ] [ 0.393813 0.820898 0.315053 ] [ 0.550165 0.421267 0.385834 ] [ 0.905507 0.329311 0.852452 ] [ 0.449835 0.921267 0.114166 ] [ 0.08052 0.929896 0.862537 ] [ 0.606187 0.320898 0.184947 ] [ 0.91948 0.429896 0.637463 ] [ 0.094493 0.829311 0.647548 ] [ 0.905507 0.170689 0.352452 ] [ 0.08052 0.570104 0.362537 ] [ 0.393813 0.679102 0.815053 ] [ 0.91948 0.070104 0.137463 ] [ 0.550165 0.078733 0.885834 ] [ 0.094493 0.670689 0.147548 ] [ 0.449835 0.578733 0.614166 ] [ 0.606187 0.179102 0.684947 ] [ 0.200679 0.639611 0.080759 ] [ 0.364303 0.366311 0.341304 ] [ 0.412795 0.901826 0.412102 ] [ 0.331695 0.873141 0.176424 ] [ 0.798867 0.246053 0.731726 ] [ 0.944078 0.849429 0.85785 ] [ 0.54922 0.536665 0.366096 ] [ 0.557229 0.749597 0.347474 ] [ 0.442771 0.249597 0.152526 ] [ 0.45078 0.036665 0.133904 ] [ 0.699989 0.392619 0.537832 ] [ 0.668305 0.373141 0.323576 ] [ 0.055765 0.040968 0.888295 ] [ 0.920584 0.428689 0.775391 ] [ 0.89636 0.786266 0.558609 ] [ 0.10364 0.286266 0.941391 ] [ 0.079416 0.928689 0.724609 ] [ 0.587205 0.401826 0.087898 ] [ 0.635697 0.866311 0.158696 ] [ 0.944235 0.540968 0.611705 ] [ 0.799321 0.139611 0.419241 ] [ 0.300011 0.892619 0.962168 ] [ 0.798867 0.253947 0.231726 ] [ 0.944078 0.650571 0.35785 ] [ 0.055922 0.349429 0.64215 ] [ 0.201133 0.746053 0.768274 ] [ 0.699989 0.107381 0.037832 ] [ 0.200679 0.860389 0.580759 ] [ 0.055765 0.459032 0.388295 ] [ 0.364303 0.133689 0.841304 ] [ 0.412795 0.598174 0.912102 ] [ 0.920584 0.071311 0.275391 ] [ 0.89636 0.713734 0.058609 ] [ 0.10364 0.213734 0.441391 ] [ 0.079416 0.571311 0.224609 ] [ 0.944235 0.959032 0.111705 ] [ 0.331695 0.626859 0.676424 ] [ 0.300011 0.607381 0.462168 ] [ 0.54922 0.963335 0.866096 ] [ 0.557229 0.750403 0.847474 ] [ 0.442771 0.250403 0.652526 ] [ 0.45078 0.463335 0.633904 ] [ 0.055922 0.150571 0.14215 ] [ 0.201133 0.753947 0.268274 ] [ 0.668305 0.126859 0.823576 ] [ 0.587205 0.098174 0.587898 ] [ 0.635697 0.633689 0.658696 ] [ 0.799321 0.360389 0.919241 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 8.14183213 "source-unit" "angstrom" } "b" { "source-value" 12.90280008 "source-unit" "angstrom" } "c" { "source-value" 11.81364493 "source-unit" "angstrom" } "beta" { "source-value" 121.06708103 "source-unit" "degree" } }