{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.804523 0.521047 0.12321 ] [ 0.695477 0.478953 0.62321 ] [ 0.304523 0.978953 0.87679 ] [ 0.195477 0.021047 0.37679 ] [ 0.367813 0.805226 0.126749 ] [ 0.132187 0.194774 0.626749 ] [ 0.867813 0.694774 0.873251 ] [ 0.632187 0.305226 0.373251 ] [ 0.441425 0.387997 0.974838 ] [ 0.058575 0.612003 0.474838 ] [ 0.941425 0.112003 0.025162 ] [ 0.558575 0.887997 0.525162 ] [ 0.211429 0.354705 0.22761 ] [ 0.288571 0.645295 0.72761 ] [ 0.711429 0.145295 0.77239 ] [ 0.788571 0.854705 0.27239 ] [ 0.226709 0.803931 0.180879 ] [ 0.273291 0.196069 0.680879 ] [ 0.726709 0.696069 0.819121 ] [ 0.773291 0.303931 0.319121 ] [ 0.29452 0.731792 0.059901 ] [ 0.20548 0.268208 0.559901 ] [ 0.79452 0.768208 0.940099 ] [ 0.70548 0.231792 0.440099 ] [ 0.416921 0.066674 0.060022 ] [ 0.083079 0.933326 0.560022 ] [ 0.916921 0.433326 0.939978 ] [ 0.583079 0.566674 0.439978 ] [ 0.485769 0.440174 0.900311 ] [ 0.014231 0.559826 0.400311 ] [ 0.985769 0.059826 0.099689 ] [ 0.514231 0.940174 0.599689 ] [ 0.262383 0.456865 0.987967 ] [ 0.237617 0.543135 0.487967 ] [ 0.762383 0.043135 0.012033 ] [ 0.737617 0.956865 0.512033 ] [ 0.226949 0.495118 0.281856 ] [ 0.273051 0.504882 0.781856 ] [ 0.726949 0.004882 0.718144 ] [ 0.773051 0.995118 0.218144 ] [ 0.392302 0.319761 0.202607 ] [ 0.107698 0.680239 0.702607 ] [ 0.892302 0.180239 0.797393 ] [ 0.607698 0.819761 0.297393 ] [ 0.712982 0.328076 0.174379 ] [ 0.787018 0.671924 0.674379 ] [ 0.212982 0.171924 0.825621 ] [ 0.287018 0.828076 0.325621 ] [ 0.897061 0.710389 0.068914 ] [ 0.602939 0.289611 0.568914 ] [ 0.397061 0.789611 0.931086 ] [ 0.102939 0.210389 0.431086 ] [ 0.53248 0.699115 0.155729 ] [ 0.96752 0.300885 0.655729 ] [ 0.03248 0.800885 0.844271 ] [ 0.46752 0.199115 0.344271 ] [ 0.401637 0.014318 0.112424 ] [ 0.098363 0.985682 0.612424 ] [ 0.901637 0.485682 0.887576 ] [ 0.598363 0.514318 0.387576 ] [ 0.576409 0.474514 0.029824 ] [ 0.923591 0.525486 0.529824 ] [ 0.076409 0.025486 0.970176 ] [ 0.423591 0.974514 0.470176 ] [ 0.430077 0.177819 0.977653 ] [ 0.069923 0.822181 0.477653 ] [ 0.930077 0.322181 0.022347 ] [ 0.569923 0.677819 0.522347 ] [ 0.101793 0.430543 0.160486 ] [ 0.398207 0.569457 0.660486 ] [ 0.601793 0.069457 0.839514 ] [ 0.898207 0.930543 0.339514 ] [ 0.13201 0.183134 0.265209 ] [ 0.36799 0.816866 0.765209 ] [ 0.63201 0.316866 0.734791 ] [ 0.86799 0.683134 0.234791 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 7.25255168 "source-unit" "angstrom" } "b" { "source-value" 7.34379781 "source-unit" "angstrom" } "c" { "source-value" 17.74345918 "source-unit" "angstrom" } }