{ "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" [ [ 0.203503 0.863519 0.124158 ] [ 0.953331 0.863501 0.37433 ] [ 0.702473 0.864176 0.624915 ] [ 0.799047 0.357801 0.873837 ] [ 0.603659 0.007139 0.128767 ] [ 0.354546 0.006688 0.379076 ] [ 0.105106 0.00743 0.629732 ] [ 0.8442 0.992667 0.878034 ] [ 0.160027 0.49491 0.122329 ] [ 0.908605 0.493618 0.371698 ] [ 0.658452 0.495518 0.621344 ] [ 0.402965 0.506155 0.871812 ] [ 0.876619 0.780224 0.032249 ] [ 0.485171 0.678286 0.029596 ] [ 0.867465 0.287004 0.217754 ] [ 0.258237 0.176102 0.220855 ] [ 0.62686 0.781654 0.281632 ] [ 0.236057 0.678899 0.279953 ] [ 0.617377 0.286383 0.468157 ] [ 0.985486 0.679731 0.529739 ] [ 0.007943 0.175948 0.470992 ] [ 0.376078 0.781914 0.531668 ] [ 0.756902 0.177683 0.720605 ] [ 0.368015 0.288539 0.718913 ] [ 0.738009 0.6831 0.778747 ] [ 0.12798 0.782358 0.782025 ] [ 0.511548 0.174686 0.970209 ] [ 0.122231 0.288024 0.968467 ] [ 0.708211 0.651602 0.039405 ] [ 0.836463 0.932462 0.077778 ] [ 0.555922 0.174632 0.052592 ] [ 0.429095 0.843774 0.05927 ] [ 0.398142 0.535208 0.073757 ] [ 0.927826 0.439508 0.171173 ] [ 0.106684 0.332905 0.050585 ] [ 0.047681 0.686032 0.064346 ] [ 0.697075 0.202473 0.193065 ] [ 0.656522 0.826071 0.199734 ] [ 0.342417 0.038451 0.174422 ] [ 0.297044 0.3478 0.187519 ] [ 0.199056 0.672145 0.195563 ] [ 0.854857 0.335791 0.29993 ] [ 0.798636 0.687133 0.313008 ] [ 0.035535 0.149869 0.213369 ] [ 0.459301 0.652518 0.289487 ] [ 0.587098 0.932734 0.328053 ] [ 0.308924 0.172615 0.302421 ] [ 0.180158 0.844133 0.310434 ] [ 0.148717 0.534888 0.322718 ] [ 0.948751 0.671888 0.445403 ] [ 0.677453 0.439263 0.421625 ] [ 0.785664 0.149125 0.46304 ] [ 0.44722 0.202109 0.442911 ] [ 0.40627 0.825896 0.449787 ] [ 0.092986 0.038583 0.4246 ] [ 0.930092 0.844832 0.560594 ] [ 0.046411 0.347607 0.437348 ] [ 0.897246 0.536455 0.572685 ] [ 0.605653 0.333487 0.550351 ] [ 0.547704 0.687575 0.562979 ] [ 0.208604 0.652664 0.539656 ] [ 0.336455 0.933095 0.577979 ] [ 0.058465 0.17228 0.552643 ] [ 0.843229 0.038707 0.675855 ] [ 0.796567 0.348433 0.687075 ] [ 0.697375 0.671665 0.694862 ] [ 0.429064 0.438754 0.671122 ] [ 0.535174 0.150353 0.714129 ] [ 0.961183 0.650174 0.788149 ] [ 0.196701 0.204101 0.694281 ] [ 0.807796 0.176986 0.802896 ] [ 0.157972 0.828919 0.70019 ] [ 0.685444 0.848465 0.807259 ] [ 0.656758 0.537478 0.824033 ] [ 0.357033 0.342513 0.800348 ] [ 0.297971 0.683081 0.809884 ] [ 0.947386 0.210398 0.94074 ] [ 0.909993 0.819988 0.950434 ] [ 0.077349 0.931349 0.828129 ] [ 0.603389 0.037933 0.926721 ] [ 0.552171 0.344576 0.933853 ] [ 0.448171 0.662105 0.945967 ] [ 0.171288 0.441831 0.920787 ] [ 0.28783 0.151455 0.962149 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 7.14837307 "source-unit" "angstrom" } "b" { "source-value" 8.15984812 "source-unit" "angstrom" } "c" { "source-value" 18.05912786 "source-unit" "angstrom" } "alpha" { "source-value" 88.38771768 "source-unit" "degree" } "beta" { "source-value" 89.6347559 "source-unit" "degree" } "gamma" { "source-value" 88.78424632 "source-unit" "degree" } }