{ "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" [ [ 0.869002 0.123624 0.300093 ] [ 0.365721 0.857039 0.6892 ] [ 0.873747 0.062966 0.619978 ] [ 0.367455 0.092582 0.099624 ] [ 0.302056 0.513275 0.108245 ] [ 0.374658 0.936449 0.379784 ] [ 0.802746 0.496963 0.896597 ] [ 0.867285 0.902531 0.89339 ] [ 0.679243 0.464253 0.488656 ] [ 0.794324 0.457795 0.322307 ] [ 0.175661 0.514095 0.514907 ] [ 0.295897 0.532324 0.684298 ] [ 0.329908 0.568434 0.591162 ] [ 0.185458 0.956813 0.914088 ] [ 0.833236 0.674117 0.841166 ] [ 0.742225 0.941217 0.736684 ] [ 0.889806 0.306692 0.739858 ] [ 0.195629 0.972066 0.546621 ] [ 0.245477 0.041429 0.267569 ] [ 0.708535 0.026106 0.06887 ] [ 0.334064 0.335197 0.156914 ] [ 0.988826 0.536458 0.063154 ] [ 0.393501 0.705267 0.269794 ] [ 0.676986 0.017308 0.438821 ] [ 0.487575 0.490471 0.945943 ] [ 0.831208 0.414111 0.410465 ] ] } "species" { "source-value" [ "Li" "Li" "Al" "Al" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "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" 5.00688368028 "source-unit" "angstrom" } "b" { "source-value" 7.71322895954 "source-unit" "angstrom" } "c" { "source-value" 8.73666278453 "source-unit" "angstrom" } "alpha" { "source-value" 114.445900133 "source-unit" "degree" } "beta" { "source-value" 90.1373832883 "source-unit" "degree" } "gamma" { "source-value" 90.0460834607 "source-unit" "degree" } }