{ "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" [ [ 0.037195 0.131368 0.421945 ] [ 0.962805 0.868632 0.578055 ] [ 0.694378 0.242506 0.759274 ] [ 0.395609 0.669712 0.799758 ] [ 0.604391 0.330288 0.200242 ] [ 0.305622 0.757494 0.240726 ] [ 0.568211 0.674652 0.651115 ] [ 0.197389 0.963592 0.257189 ] [ 0.218511 0.775557 0.432047 ] [ 0.55805 0.467573 0.795549 ] [ 0.325721 0.13994 0.629441 ] [ 0.95943 0.652152 0.107637 ] [ 0.937633 0.446897 0.325647 ] [ 0.594217 0.269066 0.968176 ] [ 0.266836 0.869437 0.813695 ] [ 0.733164 0.130563 0.186305 ] [ 0.405783 0.730934 0.031824 ] [ 0.062367 0.553104 0.674353 ] [ 0.04057 0.347848 0.892363 ] [ 0.674279 0.86006 0.370559 ] [ 0.44195 0.532427 0.204451 ] [ 0.781489 0.224443 0.567953 ] [ 0.802611 0.036408 0.742811 ] [ 0.431789 0.325348 0.348885 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.92324227 "source-unit" "angstrom" } "b" { "source-value" 8.50203617 "source-unit" "angstrom" } "c" { "source-value" 8.80625564 "source-unit" "angstrom" } "alpha" { "source-value" 113.19471987 "source-unit" "degree" } "beta" { "source-value" 105.33274388 "source-unit" "degree" } "gamma" { "source-value" 90.86765144 "source-unit" "degree" } }