{ "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" [ [ 0.75795 0.24894 0.915811 ] [ 0.750534 0.501695 0.256786 ] [ 0.235956 0.012534 0.729989 ] [ 0.240095 0.487992 0.729689 ] [ 0.758106 0.987254 0.270123 ] [ 0.251296 0.764505 0.082769 ] [ 0.786843 0.74827 0.651936 ] [ 0.214205 0.244661 0.351307 ] [ 0.707189 0.244044 0.586769 ] [ 0.302013 0.754153 0.413666 ] [ 0.717575 0.758249 0.954598 ] [ 0.272047 0.245028 0.048236 ] [ 0.279503 0.249574 0.898884 ] [ 0.95923 0.752273 0.911867 ] [ 0.523415 0.744512 0.851485 ] [ 0.802618 0.059527 0.68573 ] [ 0.818801 0.437778 0.676166 ] [ 0.400361 0.25055 0.579121 ] [ 0.188681 0.752307 0.575981 ] [ 0.812146 0.231436 0.423331 ] [ 0.606581 0.775192 0.429122 ] [ 0.228384 0.55586 0.317662 ] [ 0.187958 0.931353 0.31286 ] [ 0.486911 0.236803 0.133229 ] [ 0.048149 0.248555 0.114668 ] [ 0.663456 0.776953 0.098216 ] ] } "species" { "source-value" [ "Na" "Na" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "C" "C" "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" 5.09423215 "source-unit" "angstrom" } "b" { "source-value" 6.49911347 "source-unit" "angstrom" } "c" { "source-value" 8.72925634 "source-unit" "angstrom" } "alpha" { "source-value" 90.90634217 "source-unit" "degree" } "beta" { "source-value" 92.33418126 "source-unit" "degree" } "gamma" { "source-value" 90.42245461 "source-unit" "degree" } }