{ "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" [ [ 0.001417 0.563207 0.125273 ] [ 0.999753 0.938222 0.874259 ] [ 0.998293 0.186603 0.374491 ] [ 0.001707 0.813397 0.625509 ] [ 0.000247 0.061778 0.125741 ] [ 0.998583 0.436793 0.874727 ] [ 0.999957 0.688622 0.374203 ] [ 0.000043 0.311378 0.625797 ] [ 0.500229 0.875019 0.250162 ] [ 0.499771 0.124981 0.749838 ] [ 0.499819 0.750056 0.000019 ] [ 0.49992 0.375057 0.249822 ] [ 0.5 0 0.5 ] [ 0.500181 0.249944 0.999981 ] [ 0.50008 0.624943 0.750178 ] [ 0.5 0.5 0.5 ] [ 0.271504 0.160259 0.565243 ] [ 0.729496 0.339387 0.435785 ] [ 0.269212 0.410364 0.06345 ] [ 0.730788 0.589636 0.93655 ] [ 0.727758 0.964902 0.686104 ] [ 0.271271 0.787617 0.813737 ] [ 0.272242 0.035098 0.313896 ] [ 0.728729 0.212383 0.186263 ] [ 0.270504 0.660613 0.564215 ] [ 0.728496 0.839741 0.434757 ] [ 0.272555 0.910425 0.065891 ] [ 0.727445 0.089575 0.934109 ] [ 0.272324 0.284524 0.814005 ] [ 0.271281 0.537115 0.313711 ] [ 0.728719 0.462885 0.686289 ] [ 0.727676 0.715476 0.185995 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.18540979 "source-unit" "angstrom" } "b" { "source-value" 5.9626435 "source-unit" "angstrom" } "c" { "source-value" 10.75287244 "source-unit" "angstrom" } "alpha" { "source-value" 106.08938588 "source-unit" "degree" } "beta" { "source-value" 94.55218377 "source-unit" "degree" } "gamma" { "source-value" 106.7108238 "source-unit" "degree" } }