{ "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" [ [ 0.252357 0.603638 0.824966 ] [ 0.747643 0.396362 0.175034 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.316463 0.629 0.236515 ] [ 0.683537 0.371 0.763485 ] [ 0.641344 0.937931 0.325491 ] [ 0.358656 0.062069 0.674509 ] [ 0.159216 0.949448 0.738036 ] [ 0.271222 0.785746 0.385517 ] [ 0.697259 0.668071 0.65484 ] [ 0.628539 0.738465 0.076755 ] [ 0.11176 0.642107 0.128324 ] [ 0.88824 0.357893 0.871676 ] [ 0.371461 0.261535 0.923245 ] [ 0.302741 0.331929 0.34516 ] [ 0.728778 0.214254 0.614483 ] [ 0.840784 0.050552 0.261964 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "P" "P" "H" "H" "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" 5.2099158 "source-unit" "angstrom" } "b" { "source-value" 5.41743559 "source-unit" "angstrom" } "c" { "source-value" 7.40450521 "source-unit" "angstrom" } "alpha" { "source-value" 110.43780666 "source-unit" "degree" } "beta" { "source-value" 104.20636589 "source-unit" "degree" } "gamma" { "source-value" 99.40969109 "source-unit" "degree" } }