{ "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" [ [ 0.496389 0.497291 0.998739 ] [ 0.516999 0.844418 0.672769 ] [ 0.499126 0.165597 0.333702 ] [ 0.992483 0.324635 0.667805 ] [ 0.987346 0.663855 0.322656 ] [ 0.006426 0.002825 0.00419 ] [ 0.804175 0.370672 0.434082 ] [ 0.808232 0.035589 0.772204 ] [ 0.803165 0.704465 0.098834 ] [ 0.693206 0.202742 0.10202 ] [ 0.695133 0.537162 0.767561 ] [ 0.696254 0.869906 0.436026 ] [ 0.306277 0.130098 0.566569 ] [ 0.306589 0.465848 0.232289 ] [ 0.302056 0.793992 0.896195 ] [ 0.193457 0.961667 0.232304 ] [ 0.194578 0.294689 0.89831 ] [ 0.198108 0.634548 0.563744 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.50718455 "source-unit" "angstrom" } "b" { "source-value" 5.39903395 "source-unit" "angstrom" } "c" { "source-value" 7.44730387 "source-unit" "angstrom" } "alpha" { "source-value" 86.15776506 "source-unit" "degree" } "beta" { "source-value" 89.46281177 "source-unit" "degree" } "gamma" { "source-value" 89.12560152 "source-unit" "degree" } }