{ "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" [ [ 0.882261 0.014893 0.250793 ] [ 0.117739 0.985107 0.749207 ] [ 0.013498 0.619572 0.196212 ] [ 0.986502 0.380428 0.803788 ] [ 0.719439 0.203323 0.60123 ] [ 0.280561 0.796677 0.39877 ] [ 0.534314 0.728365 0.820384 ] [ 0.465686 0.271635 0.179616 ] [ 0.371244 0.323926 0.850418 ] [ 0.628756 0.676074 0.149582 ] [ 0.132867 0.272121 0.871388 ] [ 0.867133 0.727879 0.128612 ] [ 0.664404 0.962179 0.611436 ] [ 0.335596 0.037821 0.388564 ] [ 0.464971 0.198044 0.746607 ] [ 0.535029 0.801956 0.253393 ] [ 0.252294 0.669912 0.980937 ] [ 0.747706 0.330088 0.019063 ] [ 0.542513 0.552439 0.729457 ] [ 0.457487 0.447561 0.270543 ] [ 0.857575 0.359088 0.348784 ] [ 0.142425 0.640912 0.651216 ] [ 0.310534 0.23857 0.07146 ] [ 0.689466 0.76143 0.92854 ] [ 0.092428 0.736995 0.324238 ] [ 0.907572 0.263005 0.675762 ] ] } "species" { "source-value" [ "Na" "Na" "Si" "Si" "Si" "Si" "Si" "Si" "B" "B" "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" 6.87863913 "source-unit" "angstrom" } "b" { "source-value" 7.26976357 "source-unit" "angstrom" } "c" { "source-value" 7.50699998 "source-unit" "angstrom" } "alpha" { "source-value" 115.24102112 "source-unit" "degree" } "beta" { "source-value" 100.74759948 "source-unit" "degree" } "gamma" { "source-value" 106.92387108 "source-unit" "degree" } }