{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.024699 0.151011 0.374552 ] [ 0.95417 0.860501 0.627334 ] [ 0.977551 0.176375 0.875923 ] [ 0.026361 0.843108 0.134785 ] [ 0.529344 0.34334 0.116693 ] [ 0.460103 0.357082 0.621328 ] [ 0.479444 0.619816 0.874787 ] [ 0.514879 0.651143 0.37261 ] [ 0.80176 0.117313 0.043441 ] [ 0.814233 0.884087 0.293451 ] [ 0.681248 0.389848 0.782163 ] [ 0.705906 0.622535 0.543052 ] [ 0.28226 0.371193 0.962386 ] [ 0.266988 0.391485 0.453427 ] [ 0.31852 0.613797 0.204355 ] [ 0.174446 0.123224 0.710161 ] [ 0.745475 0.110059 0.533638 ] [ 0.72147 0.883843 0.801462 ] [ 0.773745 0.377422 0.280488 ] [ 0.773183 0.610422 0.030859 ] [ 0.204761 0.631277 0.711588 ] [ 0.242203 0.860708 0.964483 ] [ 0.287364 0.10922 0.219148 ] [ 0.239882 0.901191 0.467886 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.63671666 "source-unit" "angstrom" } "b" { "source-value" 5.65178106 "source-unit" "angstrom" } "c" { "source-value" 10.31061623 "source-unit" "angstrom" } "alpha" { "source-value" 90.03623542 "source-unit" "degree" } "beta" { "source-value" 91.03329362 "source-unit" "degree" } "gamma" { "source-value" 91.84761285 "source-unit" "degree" } }