{ "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" [ [ 0.000754 0.186855 0.937766 ] [ 0.002344 0.936159 0.687556 ] [ 0.997656 0.063841 0.312444 ] [ 0.999521 0.563005 0.811685 ] [ 0.000965 0.686779 0.438426 ] [ 0.999246 0.813145 0.062234 ] [ 0.999035 0.313221 0.561574 ] [ 0.000479 0.436995 0.188315 ] [ 0.499985 0.624622 0.624743 ] [ 0.500015 0.375378 0.375257 ] [ 0.500168 0.874669 0.874618 ] [ 0.5 0 0.5 ] [ 0.499832 0.125331 0.125382 ] [ 0.499192 0.749908 0.250468 ] [ 0.500808 0.250092 0.749532 ] [ 0.5 0.5 1 ] [ 0.729241 0.035665 0.906724 ] [ 0.271019 0.089555 0.717679 ] [ 0.727562 0.162005 0.53087 ] [ 0.272661 0.713283 0.841426 ] [ 0.727349 0.784332 0.656569 ] [ 0.728981 0.910445 0.282321 ] [ 0.272438 0.837995 0.46913 ] [ 0.727315 0.412091 0.780957 ] [ 0.725198 0.535404 0.40843 ] [ 0.270759 0.964335 0.093276 ] [ 0.274802 0.464596 0.59157 ] [ 0.72897 0.660824 0.032329 ] [ 0.272685 0.587909 0.219043 ] [ 0.727339 0.286717 0.158574 ] [ 0.272651 0.215668 0.343431 ] [ 0.27103 0.339176 0.967671 ] ] } "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" 5.17891954 "source-unit" "angstrom" } "b" { "source-value" 7.8799651 "source-unit" "angstrom" } "c" { "source-value" 7.87989863 "source-unit" "angstrom" } "alpha" { "source-value" 81.80119821 "source-unit" "degree" } "beta" { "source-value" 83.74173811 "source-unit" "degree" } "gamma" { "source-value" 70.98706761 "source-unit" "degree" } }