{ "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" [ [ 0.839748 0.0007 0.660391 ] [ 0.359594 0.513447 0.672445 ] [ 0.361161 0.492369 0.161666 ] [ 0.153334 0.979563 0.34414 ] [ 0.855106 0.317809 0.634695 ] [ 0.853074 0.68995 0.12478 ] [ 0.638103 0.811258 0.872709 ] [ 0.667765 0.164452 0.382623 ] [ 0.33602 0.846928 0.620506 ] [ 0.358051 0.169053 0.134496 ] [ 0.150284 0.340575 0.890514 ] [ 0.153336 0.652215 0.384929 ] [ 0.842648 0.655685 0.636009 ] [ 0.835043 0.348721 0.134314 ] [ 0.654846 0.161951 0.872454 ] [ 0.666383 0.833747 0.37189 ] [ 0.326831 0.177917 0.631326 ] [ 0.332956 0.829258 0.124251 ] [ 0.169365 0.68301 0.875192 ] [ 0.166854 0.316962 0.373428 ] [ 0.928488 0.697496 0.935269 ] [ 0.946432 0.301243 0.449175 ] [ 0.807121 0.952586 0.398058 ] [ 0.785042 0.287249 0.821654 ] [ 0.78442 0.713003 0.309231 ] [ 0.728347 0.026353 0.839739 ] [ 0.722918 0.786892 0.683828 ] [ 0.712293 0.529943 0.632442 ] [ 0.716383 0.480529 0.124268 ] [ 0.70901 0.22301 0.181812 ] [ 0.58119 0.176701 0.591284 ] [ 0.571656 0.817724 0.062683 ] [ 0.440957 0.193744 0.951275 ] [ 0.413883 0.825 0.412173 ] [ 0.285768 0.813622 0.834793 ] [ 0.274176 0.550318 0.855712 ] [ 0.276534 0.445948 0.344795 ] [ 0.272461 0.183139 0.324187 ] [ 0.223049 0.311293 0.676135 ] [ 0.232341 0.960784 0.155169 ] [ 0.215044 0.695673 0.156936 ] [ 0.18448 0.056569 0.622242 ] [ 0.092648 0.666641 0.591528 ] [ 0.091008 0.333202 0.095761 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32549801 "source-unit" "angstrom" } "b" { "source-value" 9.09815083 "source-unit" "angstrom" } "c" { "source-value" 10.33022664 "source-unit" "angstrom" } "alpha" { "source-value" 88.60732731 "source-unit" "degree" } "beta" { "source-value" 87.91583596 "source-unit" "degree" } "gamma" { "source-value" 89.21671916 "source-unit" "degree" } }