{ "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" [ [ 0.975381 0.717514 0.312249 ] [ 0.024619 0.282486 0.687751 ] [ 0 0 0 ] [ 0.355073 0.948397 0.731552 ] [ 0.644927 0.051603 0.268448 ] [ 0.538597 0.276517 0.521207 ] [ 0.461403 0.723483 0.478793 ] [ 0.730767 0.075011 0.802876 ] [ 0.745563 0.832861 0.12084 ] [ 0.276035 0.674346 0.510427 ] [ 0.270571 0.144083 0.58029 ] [ 0.808568 0.331996 0.19142 ] [ 0.191432 0.668004 0.80858 ] [ 0.729429 0.855917 0.41971 ] [ 0.723965 0.325654 0.489573 ] [ 0.254437 0.167139 0.87916 ] [ 0.269233 0.924989 0.197124 ] ] } "species" { "source-value" [ "Fe" "Fe" "Cu" "As" "As" "H" "H" "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" 5.27238392 "source-unit" "angstrom" } "b" { "source-value" 5.38126843 "source-unit" "angstrom" } "c" { "source-value" 8.09073184 "source-unit" "angstrom" } "alpha" { "source-value" 99.56614006 "source-unit" "degree" } "beta" { "source-value" 103.72614815 "source-unit" "degree" } "gamma" { "source-value" 110.83396084 "source-unit" "degree" } }