{ "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" [ [ 0.055891 0.826157 0.74486 ] [ 0.004748 0.428317 0.827582 ] [ 0.012809 0.097398 0.773968 ] [ 0.948597 0.745118 0.429106 ] [ 0.970809 0.48169 0.413002 ] [ 0.024185 0.105726 0.481991 ] [ 0.983061 0.77372 0.129346 ] [ 0.992279 0.412161 0.10666 ] [ 0.010222 0.128638 0.097753 ] [ 0.524161 0.868325 0.911974 ] [ 0.490653 0.570926 0.88086 ] [ 0.55675 0.879973 0.548568 ] [ 0.520757 0.219628 0.869085 ] [ 0.450091 0.549273 0.571756 ] [ 0.491811 0.263935 0.547282 ] [ 0.475094 0.911754 0.220171 ] [ 0.480867 0.546698 0.189766 ] [ 0.51655 0.188921 0.26449 ] [ 0.999476 0.665947 0.991335 ] [ 0.999283 0.666782 0.666982 ] [ 0.987755 0.343209 0.666783 ] [ 0.01438 0.990837 0.343152 ] [ 0.530026 0.015177 0.669113 ] [ 0.466882 0.668937 0.316353 ] [ 0.995742 0.333107 0.333931 ] [ 0.006868 0.999807 0.000458 ] [ 0.503584 0.315359 0.016224 ] [ 0.014794 0.914375 0.979694 ] [ 0.983225 0.576144 0.976526 ] [ 0.036462 0.770217 0.903216 ] [ 0.5556 0.910237 0.686981 ] [ 0.500389 0.40237 0.911266 ] [ 0.998592 0.589303 0.775627 ] [ 0.06383 0.774166 0.635472 ] [ 0.025721 0.105844 0.915211 ] [ 0.05478 0.97559 0.44744 ] [ 0.022419 0.326493 0.771244 ] [ 0.935554 0.636757 0.590046 ] [ 0.961561 0.90318 0.327028 ] [ 0.983272 0.254523 0.651111 ] [ 0.957621 0.447916 0.577599 ] [ 0.517498 0.030911 0.75773 ] [ 0.453493 0.687141 0.403225 ] [ 0.469856 0.562835 0.336042 ] [ 0.517214 0.101526 0.563213 ] [ 0.979465 0.979198 0.106402 ] [ 0.477467 0.757391 0.212058 ] [ 0.996662 0.327148 0.433964 ] [ 0.006462 0.239052 0.327815 ] [ 0.984386 0.433251 0.239956 ] [ 0.978634 0.650715 0.09542 ] [ 0.027079 0.09495 0.254362 ] [ 0.499306 0.33505 0.102588 ] [ 0.51114 0.211112 0.031742 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.17572558 "source-unit" "angstrom" } "b" { "source-value" 14.25605996 "source-unit" "angstrom" } "c" { "source-value" 14.2634251 "source-unit" "angstrom" } "alpha" { "source-value" 60.03972356 "source-unit" "degree" } "beta" { "source-value" 89.10577512 "source-unit" "degree" } "gamma" { "source-value" 89.11970251 "source-unit" "degree" } }