{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.241546 ] [ 0.666667 0.333333 0.57488 ] [ 0.333333 0.666667 0.908213 ] [ 0 0 0.009242 ] [ 0 0 0.620062 ] [ 0.83442 0.16558 0.797681 ] [ 0.83442 0.66884 0.797681 ] [ 0.33116 0.16558 0.797681 ] [ 0.666667 0.333333 0.342576 ] [ 0.666667 0.333333 0.953395 ] [ 0.501087 0.498913 0.131014 ] [ 0.501087 0.002173 0.131014 ] [ 0.997827 0.498913 0.131014 ] [ 0.333333 0.666667 0.675909 ] [ 0.333333 0.666667 0.286729 ] [ 0.167753 0.832247 0.464348 ] [ 0.167753 0.335507 0.464348 ] [ 0.664493 0.832247 0.464348 ] [ 0.177185 0.35437 0.197679 ] [ 0.64563 0.822815 0.197679 ] [ 0.177185 0.822815 0.197679 ] [ 0 0 0.873096 ] [ 0.821401 0.178599 0.046946 ] [ 0.821401 0.642801 0.046946 ] [ 0.357199 0.178599 0.046946 ] [ 0.843851 0.687703 0.531012 ] [ 0.312297 0.156149 0.531012 ] [ 0.843851 0.156149 0.531012 ] [ 0.666667 0.333333 0.206429 ] [ 0.488067 0.511933 0.38028 ] [ 0.488067 0.976135 0.38028 ] [ 0.023865 0.511933 0.38028 ] [ 0.510518 0.021036 0.864346 ] [ 0.978964 0.489482 0.864346 ] [ 0.510518 0.489482 0.864346 ] [ 0.333333 0.666667 0.539762 ] [ 0.154734 0.845266 0.713613 ] [ 0.154734 0.309468 0.713613 ] [ 0.690532 0.845266 0.713613 ] [ 0 0 0.379139 ] [ 0.666667 0.333333 0.712472 ] [ 0.333333 0.666667 0.045806 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14590153 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }