{ "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" [ [ 0.33474 0.679385 0.102593 ] [ 0.003636 0.996661 0.005792 ] [ 0.001124 0.991927 0.506005 ] [ 0.662479 0.337744 0.602165 ] [ 0.172176 0.828362 0.786293 ] [ 0.826477 0.656227 0.284283 ] [ 0.337159 0.173362 0.287171 ] [ 0.328797 0.662472 0.511143 ] [ 0.672328 0.335316 0.011869 ] [ 0.661915 0.829438 0.785895 ] [ 0.170735 0.338878 0.786582 ] [ 0.827995 0.165488 0.287214 ] [ 0.666844 0.82599 0.401966 ] [ 0.472691 0.52269 0.649151 ] [ 0.33273 0.674033 0.895246 ] [ 0.004203 0.992661 0.693934 ] [ 0.000287 0.986215 0.194649 ] [ 0.166053 0.323265 0.405237 ] [ 0.467309 0.960202 0.65854 ] [ 0.036903 0.52789 0.660847 ] [ 0.833547 0.172558 0.90748 ] [ 0.151986 0.797862 0.408251 ] [ 0.961305 0.485493 0.160491 ] [ 0.516478 0.052665 0.154525 ] [ 0.664765 0.34453 0.391679 ] [ 0.842458 0.663724 0.900314 ] [ 0.546489 0.511903 0.149874 ] [ 0.336689 0.163358 0.902967 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "V" "V" "Fe" "Fe" "Fe" "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" 5.89167779 "source-unit" "angstrom" } "b" { "source-value" 5.90503281 "source-unit" "angstrom" } "c" { "source-value" 9.51485719 "source-unit" "angstrom" } "alpha" { "source-value" 90.86184633 "source-unit" "degree" } "beta" { "source-value" 90.01855432 "source-unit" "degree" } "gamma" { "source-value" 119.26024519 "source-unit" "degree" } }