{ "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" [ [ 0.999947 0.000686 0.00036 ] [ 0.498515 0.758402 0.000587 ] [ 0.500586 0.252116 0.972016 ] [ 0.99037 0.50009 0.750988 ] [ 0.502647 0.497786 0.49735 ] [ 0.258277 0.999737 0.499086 ] [ 0.749481 0.997985 0.486997 ] [ 0.000366 0.500038 0.276167 ] [ 0.385443 0.861313 0.8813 ] [ 0.8894 0.383931 0.867469 ] [ 0.38093 0.36824 0.876314 ] [ 0.606721 0.637541 0.887979 ] [ 0.108325 0.613884 0.861885 ] [ 0.619438 0.133231 0.877903 ] [ 0.887553 0.619833 0.637663 ] [ 0.860247 0.107916 0.610269 ] [ 0.360542 0.121327 0.613278 ] [ 0.874569 0.884658 0.390007 ] [ 0.361909 0.883821 0.382313 ] [ 0.882388 0.382774 0.37157 ] [ 0.120073 0.616832 0.37407 ] [ 0.635304 0.12336 0.392126 ] [ 0.140019 0.111659 0.387963 ] [ 0.620088 0.860812 0.114928 ] [ 0.877789 0.877804 0.874774 ] [ 0.123927 0.119646 0.876312 ] [ 0.634081 0.883293 0.620992 ] [ 0.130995 0.882748 0.618559 ] [ 0.37968 0.622593 0.620181 ] [ 0.621638 0.378684 0.626225 ] [ 0.120413 0.381696 0.632705 ] [ 0.621683 0.625974 0.377755 ] [ 0.37162 0.378908 0.377873 ] [ 0.90243 0.596125 0.114659 ] [ 0.385105 0.628107 0.120838 ] [ 0.594787 0.349104 0.137308 ] [ 0.1239 0.877553 0.121858 ] [ 0.878903 0.124193 0.123872 ] [ 0.095765 0.402124 0.114204 ] [ 0.404147 0.153478 0.131298 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.68029546 "source-unit" "angstrom" } "b" { "source-value" 8.79327288 "source-unit" "angstrom" } "c" { "source-value" 9.13396381 "source-unit" "angstrom" } "alpha" { "source-value" 90.61335036 "source-unit" "degree" } "beta" { "source-value" 90.49987515 "source-unit" "degree" } "gamma" { "source-value" 90.15073567 "source-unit" "degree" } }