{ "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" [ [ 0.152125 0.999018 0.252219 ] [ 0.158446 0.000183 0.755176 ] [ 0.327631 0.250788 0.501935 ] [ 0.329773 0.244366 0.001664 ] [ 0.673877 0.258053 0.755037 ] [ 0.669689 0.247546 0.251171 ] [ 0.847233 0.499296 0.003424 ] [ 0.677597 0.747127 0.757901 ] [ 0.804957 0.508945 0.499191 ] [ 0.656666 0.743807 0.259922 ] [ 0.343717 0.741959 0.496891 ] [ 0.335159 0.760757 0.000612 ] [ 0.826436 0.005456 0.997874 ] [ 0.831396 0.009436 0.505564 ] [ 0.176877 0.495676 0.753501 ] [ 0.172904 0.488728 0.246353 ] [ 0.827562 0.006575 0.351195 ] [ 0.102559 0.01505 0.556821 ] [ 0.825573 0.005817 0.843994 ] [ 0.096901 0.012554 0.053252 ] [ 0.680098 0.208199 0.557144 ] [ 0.682073 0.205196 0.051678 ] [ 0.316418 0.292176 0.80763 ] [ 0.317083 0.29015 0.30247 ] [ 0.177495 0.487351 0.092926 ] [ 0.897542 0.480406 0.293851 ] [ 0.179809 0.488503 0.599168 ] [ 0.904067 0.49955 0.805282 ] [ 0.287247 0.705438 0.295082 ] [ 0.314449 0.704862 0.796364 ] [ 0.701553 0.806116 0.56514 ] [ 0.705088 0.790917 0.046977 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.38536992 "source-unit" "angstrom" } "b" { "source-value" 6.21914405 "source-unit" "angstrom" } "c" { "source-value" 10.09405801 "source-unit" "angstrom" } "alpha" { "source-value" 89.63778802 "source-unit" "degree" } "beta" { "source-value" 89.86961683 "source-unit" "degree" } "gamma" { "source-value" 89.29135579 "source-unit" "degree" } }