{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.168061 ] [ 0 0 0.33283 ] [ 0 0 0.504271 ] [ 0 0 0.666531 ] [ 0 0 0.996138 ] [ 0.333333 0.666667 0.163952 ] [ 0.333333 0.666667 0.328685 ] [ 0.333333 0.666667 0.502743 ] [ 0.333333 0.666667 0.663635 ] [ 0.333333 0.666667 0.83033 ] [ 0.333333 0.666667 0.991835 ] [ 0.666667 0.333333 0.997089 ] [ 0.666667 0.333333 0.170655 ] [ 0.666667 0.333333 0.508289 ] [ 0.666667 0.333333 0.336529 ] [ 0.666667 0.333333 0.669651 ] [ 0.666667 0.333333 0.836335 ] [ 0 0 0.833506 ] [ 0.345816 0.991626 0.055015 ] [ 0.348846 0.996994 0.223084 ] [ 0.327052 0.01166 0.389275 ] [ 0.330977 0.998032 0.556255 ] [ 0.329554 0.99768 0.722194 ] [ 0.330633 0.996947 0.888694 ] [ 0.008374 0.35419 0.055015 ] [ 0.003006 0.351852 0.223084 ] [ 0.98834 0.315392 0.389275 ] [ 0.001968 0.332945 0.556255 ] [ 0.00232 0.331874 0.722194 ] [ 0.003053 0.333686 0.888694 ] [ 0.313501 0.324702 0.110767 ] [ 0.316949 0.324388 0.276646 ] [ 0.314177 0.325091 0.444855 ] [ 0.333429 0.330405 0.611312 ] [ 0.331853 0.329503 0.777802 ] [ 0.331692 0.329867 0.943966 ] [ 0.64581 0.654184 0.055015 ] [ 0.648148 0.651154 0.223084 ] [ 0.684608 0.672948 0.389275 ] [ 0.668126 0.670446 0.722194 ] [ 0.667055 0.669023 0.556255 ] [ 0.666314 0.669367 0.888694 ] [ 0.011201 0.686499 0.110767 ] [ 0.007439 0.683051 0.276646 ] [ 0.010913 0.685823 0.444855 ] [ 0.996976 0.666571 0.611312 ] [ 0.99765 0.668147 0.777802 ] [ 0.998175 0.668308 0.943966 ] [ 0.675298 0.988799 0.110767 ] [ 0.675612 0.992561 0.276646 ] [ 0.674909 0.989087 0.444855 ] [ 0.669595 0.003024 0.611312 ] [ 0.670497 0.00235 0.777802 ] [ 0.670133 0.001825 0.943966 ] [ 0 0 0.384782 ] [ 0 0 0.717681 ] [ 0 0 0.782317 ] [ 0 0 0.884815 ] [ 0.311735 0.971013 0.019988 ] [ 0.310784 0.970012 0.186611 ] [ 0.309988 0.968808 0.353085 ] [ 0.31433 0.977894 0.518596 ] [ 0.314421 0.975839 0.686088 ] [ 0.314778 0.97568 0.852543 ] [ 0.028987 0.340722 0.019988 ] [ 0.029988 0.340773 0.186611 ] [ 0.031192 0.34118 0.353085 ] [ 0.022106 0.336436 0.518596 ] [ 0.024161 0.338581 0.686088 ] [ 0.02432 0.339097 0.852543 ] [ 0.328515 0.886928 0.284968 ] [ 0.330492 0.889919 0.118566 ] [ 0.330564 0.892598 0.450024 ] [ 0.333099 0.888539 0.617484 ] [ 0.334086 0.888625 0.783775 ] [ 0.334108 0.889699 0.952642 ] [ 0.110081 0.440573 0.118566 ] [ 0.113072 0.441586 0.284968 ] [ 0.107402 0.437966 0.450024 ] [ 0.111461 0.44456 0.617484 ] [ 0.111375 0.445461 0.783775 ] [ 0.110301 0.444409 0.952642 ] [ 0 0 0.115356 ] [ 0 0 0.281879 ] [ 0 0 0.447369 ] [ 0 0 0.550849 ] [ 0 0 0.615386 ] [ 0.333333 0.666667 0.054747 ] [ 0.333333 0.666667 0.220088 ] [ 0.333333 0.666667 0.55121 ] [ 0.333333 0.666667 0.719959 ] [ 0.333333 0.666667 0.886304 ] [ 0.33807 0.307872 0.146932 ] [ 0.342188 0.309965 0.313152 ] [ 0.342205 0.310861 0.479734 ] [ 0.339112 0.314758 0.647471 ] [ 0.338527 0.314371 0.813908 ] [ 0.335417 0.314339 0.981626 ] [ 0.558414 0.671485 0.284968 ] [ 0.559427 0.669508 0.118566 ] [ 0.562034 0.669436 0.450024 ] [ 0.55544 0.666901 0.617484 ] [ 0.554539 0.665914 0.783775 ] [ 0.555591 0.665892 0.952642 ] [ 0.439002 0.334416 0.049977 ] [ 0.439329 0.331289 0.213611 ] [ 0.44195 0.330843 0.380939 ] [ 0.443918 0.333143 0.547297 ] [ 0.445451 0.33408 0.716217 ] [ 0.444536 0.33303 0.882571 ] [ 0.659278 0.688265 0.019988 ] [ 0.65882 0.690012 0.353085 ] [ 0.659227 0.689216 0.186611 ] [ 0.663564 0.68567 0.518596 ] [ 0.661419 0.685579 0.686088 ] [ 0.660903 0.685222 0.852543 ] [ 0 0 0.949968 ] [ 0.666667 0.333333 0.780032 ] [ 0.666667 0.333333 0.613703 ] [ 0.666667 0.333333 0.948874 ] [ 0.895414 0.560998 0.049977 ] [ 0.891959 0.560671 0.213611 ] [ 0.888893 0.55805 0.380939 ] [ 0.888629 0.554549 0.716217 ] [ 0.889224 0.556082 0.547297 ] [ 0.888494 0.555464 0.882571 ] [ 0.665584 0.104586 0.049977 ] [ 0.669157 0.111107 0.380939 ] [ 0.668711 0.108041 0.213611 ] [ 0.666857 0.110776 0.547297 ] [ 0.66592 0.111371 0.716217 ] [ 0.66697 0.111506 0.882571 ] [ 0.969803 0.66193 0.146932 ] [ 0.967777 0.657812 0.313152 ] [ 0.968657 0.657795 0.479734 ] [ 0.975646 0.660888 0.647471 ] [ 0.975844 0.661473 0.813908 ] [ 0.978922 0.664583 0.981626 ] [ 0.692128 0.030197 0.146932 ] [ 0.690035 0.032223 0.313152 ] [ 0.689139 0.031343 0.479734 ] [ 0.685242 0.024354 0.647471 ] [ 0.685629 0.024156 0.813908 ] [ 0.685661 0.021078 0.981626 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.49260501 "source-unit" "angstrom" } "c" { "source-value" 56.56093601 "source-unit" "angstrom" } }