{ "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" [ [ 0.751773 0.501381 0.756426 ] [ 0.751101 0.993218 0.244779 ] [ 0.010447 0.756858 0.250749 ] [ 0.989553 0.243142 0.749251 ] [ 0.256009 0.253421 0.005654 ] [ 0.248227 0.498619 0.243574 ] [ 0.25249 0.751472 0.497411 ] [ 0.248899 0.006782 0.755221 ] [ 0.497378 0.749511 0.753763 ] [ 0.502622 0.250489 0.246237 ] [ 0.743991 0.746579 0.994346 ] [ 0.74751 0.248528 0.502589 ] [ 0.749975 0.750259 0.499089 ] [ 0.754226 0.249611 0.998022 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.250025 0.249741 0.500911 ] [ 0.245774 0.750389 0.001978 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.250483 0.498193 0.751288 ] [ 0.252755 0.005824 0.251047 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.749517 0.501807 0.248712 ] [ 0.747245 0.994176 0.748953 ] [ 0.753012 0.878373 0.392866 ] [ 0.771075 0.369466 0.886241 ] [ 0.742838 0.115555 0.10266 ] [ 0.980263 0.624729 0.383897 ] [ 0.97715 0.382825 0.123954 ] [ 0.02285 0.617175 0.876046 ] [ 0.97219 0.873836 0.614705 ] [ 0.019737 0.375271 0.616103 ] [ 0.992519 0.105143 0.870947 ] [ 0.007481 0.894857 0.129053 ] [ 0.02781 0.126164 0.385295 ] [ 0.228925 0.630534 0.113759 ] [ 0.247737 0.382171 0.39493 ] [ 0.257162 0.884445 0.89734 ] [ 0.252359 0.393227 0.8893 ] [ 0.246983 0.604483 0.611726 ] [ 0.244304 0.89429 0.383465 ] [ 0.246988 0.121627 0.607134 ] [ 0.284163 0.115798 0.118546 ] [ 0.492848 0.612152 0.871178 ] [ 0.472528 0.375915 0.61527 ] [ 0.527472 0.624085 0.38473 ] [ 0.507152 0.387848 0.128822 ] [ 0.481648 0.888359 0.120584 ] [ 0.479576 0.130103 0.385039 ] [ 0.520424 0.869897 0.614961 ] [ 0.518352 0.111641 0.879416 ] [ 0.753017 0.395517 0.388274 ] [ 0.747641 0.606773 0.1107 ] [ 0.752263 0.617829 0.60507 ] [ 0.715838 0.884202 0.881454 ] [ 0.755696 0.10571 0.616535 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.00939009 "source-unit" "angstrom" } "b" { "source-value" 10.22519487 "source-unit" "angstrom" } "c" { "source-value" 10.26010968 "source-unit" "angstrom" } "alpha" { "source-value" 108.31073168 "source-unit" "degree" } "beta" { "source-value" 90.24057263 "source-unit" "degree" } "gamma" { "source-value" 90.73835113 "source-unit" "degree" } }