{ "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" [ [ 0.826559 0.396415 0.120896 ] [ 0.676551 0.123645 0.192142 ] [ 0.712144 0.772429 0.89052 ] [ 0.323449 0.876355 0.807858 ] [ 0.514036 0.500052 0.215265 ] [ 0.287856 0.227571 0.10948 ] [ 0.173441 0.603585 0.879104 ] [ 0.704601 0.842372 0.547399 ] [ 0.769658 0.592275 0.572695 ] [ 0.230342 0.407725 0.427305 ] [ 0.485964 0.499948 0.784735 ] [ 0.295399 0.157628 0.452601 ] [ 0.822305 0.614445 0.208198 ] [ 0.38053 0.718234 0.480589 ] [ 0.630146 0.988213 0.904742 ] [ 0.61947 0.281766 0.519411 ] [ 0.177695 0.385555 0.791802 ] [ 0.369854 0.011787 0.095258 ] [ 0.352484 0.489786 0.815342 ] [ 0.522067 0.012725 0.122812 ] [ 0.771128 0.284478 0.179639 ] [ 0.111525 0.437661 0.845043 ] [ 0.477933 0.987275 0.877188 ] [ 0.634768 0.432323 0.532017 ] [ 0.228872 0.715522 0.820361 ] [ 0.3928 0.155874 0.133047 ] [ 0.888475 0.562339 0.154957 ] [ 0.541933 0.827575 0.537224 ] [ 0.6072 0.844126 0.866953 ] [ 0.458067 0.172425 0.462776 ] [ 0.365232 0.567677 0.467983 ] [ 0.648777 0.627075 0.834552 ] [ 0.28801 0.299184 0.449007 ] [ 0.351223 0.372925 0.165448 ] [ 0.647516 0.510214 0.184658 ] [ 0.71199 0.700816 0.550993 ] [ 0.847201 0.603823 0.693747 ] [ 0.667147 0.341676 0.012488 ] [ 0.955202 0.646436 0.539115 ] [ 0.001382 0.404612 0.093017 ] [ 0.152799 0.396177 0.306253 ] [ 0.783817 0.943085 0.457984 ] [ 0.332853 0.658324 0.987512 ] [ 0.998618 0.595388 0.906983 ] [ 0.747659 0.73999 0.007037 ] [ 0.922569 0.907926 0.886916 ] [ 0.044798 0.353564 0.460885 ] [ 0.367774 0.787842 0.367136 ] [ 0.157775 0.013318 0.351826 ] [ 0.198404 0.972277 0.791448 ] [ 0.639772 0.128646 0.298951 ] [ 0.915107 0.591682 0.32579 ] [ 0.084893 0.408318 0.67421 ] [ 0.216183 0.056915 0.542016 ] [ 0.493669 0.316223 0.789887 ] [ 0.506331 0.683777 0.210113 ] [ 0.768255 0.149461 0.848443 ] [ 0.842225 0.986682 0.648174 ] [ 0.632226 0.212158 0.632864 ] [ 0.553453 0.48184 0.333648 ] [ 0.252341 0.26001 0.992963 ] [ 0.360228 0.871354 0.701049 ] [ 0.077431 0.092074 0.113084 ] [ 0.801596 0.027723 0.208552 ] [ 0.231745 0.850539 0.151557 ] [ 0.446547 0.51816 0.666352 ] [ 0.736813 0.276163 0.495765 ] [ 0.125373 0.233275 0.789018 ] [ 0.263187 0.723837 0.504235 ] [ 0.289858 0.963413 0.009984 ] [ 0.710142 0.036587 0.990016 ] [ 0.874627 0.766725 0.210982 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 10.60575266 "source-unit" "angstrom" } "b" { "source-value" 10.70721861 "source-unit" "angstrom" } "c" { "source-value" 17.39545341 "source-unit" "angstrom" } "alpha" { "source-value" 89.46993504 "source-unit" "degree" } "beta" { "source-value" 106.00982797 "source-unit" "degree" } "gamma" { "source-value" 119.19328831 "source-unit" "degree" } }