{ "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" [ [ 0.730551 0.383653 0.812497 ] [ 0.269449 0.616347 0.187503 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.322453 0.641613 0.76143 ] [ 0.677547 0.358387 0.23857 ] [ 0.631385 0.755252 0.914194 ] [ 0.249464 0.788677 0.610008 ] [ 0.308627 0.342519 0.658106 ] [ 0.870686 0.333593 0.112064 ] [ 0.129314 0.666407 0.887936 ] [ 0.691373 0.657481 0.341894 ] [ 0.750536 0.211323 0.389992 ] [ 0.368615 0.244748 0.085806 ] [ 0.128762 0.928014 0.265313 ] [ 0.871238 0.071986 0.734687 ] ] } "species" { "source-value" [ "Li" "Li" "V" "Fe" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.22496246 "source-unit" "angstrom" } "b" { "source-value" 5.38027589 "source-unit" "angstrom" } "c" { "source-value" 7.39935343 "source-unit" "angstrom" } "alpha" { "source-value" 106.81119521 "source-unit" "degree" } "beta" { "source-value" 108.58947996 "source-unit" "degree" } "gamma" { "source-value" 97.85824922 "source-unit" "degree" } }