{ "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" [ [ 0.914232 0.091727 0.750018 ] [ 0.998801 0.50006 0.000116 ] [ 0.939637 0.435893 0.812455 ] [ 0.874092 0.374893 0.62508 ] [ 0.814646 0.309849 0.437503 ] [ 0.749228 0.249378 0.250145 ] [ 0.687491 0.187563 0.062487 ] [ 0.970353 0.792534 0.874958 ] [ 0.625493 0.125157 0.87486 ] [ 0.838905 0.662808 0.499943 ] [ 0.71011 0.533989 0.124926 ] [ 0.562521 0.062326 0.687482 ] [ 0.499211 0.998689 0.50005 ] [ 0.583707 0.408256 0.749814 ] [ 0.460585 0.284643 0.375019 ] [ 0.787696 0.965807 0.374866 ] [ 0.666893 0.842789 0.000237 ] [ 0.335288 0.157049 0.000039 ] [ 0.21679 0.039854 0.62521 ] [ 0.53363 0.710703 0.624975 ] [ 0.408839 0.586995 0.250229 ] [ 0.437445 0.937563 0.312532 ] [ 0.279107 0.456928 0.874737 ] [ 0.161601 0.33978 0.500087 ] [ 0.375207 0.875003 0.124898 ] [ 0.038829 0.216135 0.124784 ] [ 0.31012 0.814946 0.937585 ] [ 0.251304 0.749718 0.74992 ] [ 0.189216 0.687054 0.562534 ] [ 0.125843 0.624887 0.374965 ] [ 0.06562 0.560771 0.187532 ] [ 0.091187 0.914437 0.250116 ] [ 0.980092 0.145247 0.937561 ] [ 0.895132 0.729673 0.687491 ] [ 0.770353 0.604656 0.312529 ] [ 0.520475 0.354841 0.562498 ] [ 0.395027 0.229886 0.187528 ] [ 0.27013 0.104824 0.812475 ] [ 0.354859 0.520324 0.062468 ] [ 0.229375 0.395285 0.68747 ] [ 0.104638 0.270257 0.312523 ] [ 0.144764 0.979762 0.437436 ] [ 0.020439 0.854558 0.062496 ] [ 0.857993 0.017414 0.562496 ] [ 0.642248 0.483209 0.937536 ] [ 0.732896 0.892125 0.1875 ] [ 0.607791 0.767059 0.812504 ] [ 0.482543 0.641903 0.437465 ] [ 0.9114 0.05421 0.659491 ] [ 0.95179 0.093993 0.840783 ] [ 0.928931 0.429127 0.715977 ] [ 0.804088 0.304107 0.340997 ] [ 0.94431 0.443671 0.909017 ] [ 0.81947 0.32025 0.53399 ] [ 0.693771 0.194715 0.15901 ] [ 0.681065 0.179929 0.966046 ] [ 0.555052 0.055794 0.591043 ] [ 0.92721 0.788653 0.78459 ] [ 0.569135 0.070124 0.784023 ] [ 0.801599 0.663654 0.4095 ] [ 0.679306 0.536568 0.034493 ] [ 0.969124 0.827404 0.965941 ] [ 0.836313 0.697421 0.590451 ] [ 0.710966 0.573001 0.215488 ] [ 0.786485 0.929201 0.284517 ] [ 0.827333 0.968812 0.465858 ] [ 0.696033 0.838444 0.090472 ] [ 0.55422 0.41155 0.659561 ] [ 0.429491 0.286555 0.284604 ] [ 0.586407 0.447803 0.840459 ] [ 0.461139 0.32251 0.46535 ] [ 0.338758 0.195321 0.090386 ] [ 0.664035 0.802029 0.90953 ] [ 0.531814 0.673345 0.53415 ] [ 0.406149 0.54766 0.159112 ] [ 0.570569 0.713459 0.715497 ] [ 0.445834 0.588547 0.340522 ] [ 0.297747 0.15612 0.909164 ] [ 0.178177 0.038624 0.534582 ] [ 0.213238 0.070491 0.715433 ] [ 0.281258 0.422915 0.784149 ] [ 0.155638 0.297895 0.4091 ] [ 0.036554 0.179536 0.034558 ] [ 0.323301 0.461265 0.965482 ] [ 0.201796 0.343489 0.590794 ] [ 0.430094 0.931084 0.216051 ] [ 0.077203 0.218966 0.215886 ] [ 0.444152 0.945372 0.408956 ] [ 0.321083 0.820793 0.034007 ] [ 0.304785 0.805456 0.840985 ] [ 0.180009 0.680944 0.465943 ] [ 0.054083 0.553992 0.090945 ] [ 0.19554 0.695946 0.659017 ] [ 0.070736 0.570957 0.284039 ] [ 0.051974 0.913667 0.159541 ] [ 0.088449 0.945427 0.340439 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" "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" 5.00668737 "source-unit" "angstrom" } "b" { "source-value" 5.00652211 "source-unit" "angstrom" } "c" { "source-value" 38.4484343 "source-unit" "angstrom" } "alpha" { "source-value" 91.02389896 "source-unit" "degree" } "beta" { "source-value" 91.02927402 "source-unit" "degree" } "gamma" { "source-value" 119.67221108 "source-unit" "degree" } }