{ "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" [ [ 0.847257 0.065149 0.390437 ] [ 0.151967 0.431529 0.112577 ] [ 0.652105 0.186389 0.858695 ] [ 0.345529 0.315974 0.638252 ] [ 0.652701 0.684855 0.361395 ] [ 0.349588 0.81293 0.142067 ] [ 0.845295 0.56701 0.888526 ] [ 0.152651 0.936533 0.608351 ] [ 0.670829 0.271586 0.040876 ] [ 0.168963 0.028093 0.789101 ] [ 0.329878 0.723555 0.960572 ] [ 0.330318 0.227262 0.456809 ] [ 0.172075 0.524479 0.289487 ] [ 0.825007 0.477258 0.706394 ] [ 0.661053 0.776066 0.541594 ] [ 0.828755 0.969371 0.212348 ] [ 0.330227 0.035298 0.297128 ] [ 0.828696 0.289291 0.545345 ] [ 0.674741 0.460983 0.205636 ] [ 0.171082 0.216145 0.952514 ] [ 0.830957 0.783236 0.048943 ] [ 0.327937 0.537418 0.794926 ] [ 0.169678 0.712075 0.453947 ] [ 0.669813 0.965322 0.701045 ] [ 0.592511 0.011462 0.307771 ] [ 0.188044 0.167847 0.346659 ] [ 0.702972 0.178309 0.48813 ] [ 0.288203 0.331875 0.010455 ] [ 0.787415 0.077544 0.759259 ] [ 0.817 0.32679 0.157602 ] [ 0.321196 0.081752 0.906092 ] [ 0.089548 0.262712 0.557433 ] [ 0.412155 0.48554 0.194522 ] [ 0.910964 0.238908 0.938596 ] [ 0.685493 0.420331 0.595314 ] [ 0.204106 0.421827 0.738642 ] [ 0.797151 0.577455 0.262077 ] [ 0.314724 0.580821 0.404734 ] [ 0.09095 0.76078 0.063008 ] [ 0.589952 0.513818 0.807121 ] [ 0.909794 0.740616 0.442749 ] [ 0.681949 0.916274 0.096513 ] [ 0.181832 0.669679 0.8436 ] [ 0.207249 0.923731 0.240072 ] [ 0.71353 0.669617 0.99082 ] [ 0.296175 0.823155 0.51118 ] [ 0.820035 0.832462 0.653164 ] [ 0.409952 0.98889 0.687521 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.23012918 "source-unit" "angstrom" } "b" { "source-value" 6.02453042 "source-unit" "angstrom" } "c" { "source-value" 16.17475357 "source-unit" "angstrom" } "alpha" { "source-value" 81.80384138 "source-unit" "degree" } "beta" { "source-value" 89.2253162 "source-unit" "degree" } "gamma" { "source-value" 89.0469438 "source-unit" "degree" } }