{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.588579 0.14045 0.109506 ] [ 0.911421 0.64045 0.390494 ] [ 0.411421 0.85955 0.890494 ] [ 0.088579 0.35955 0.609506 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.041672 0.30889 0.193897 ] [ 0.458328 0.80889 0.306103 ] [ 0.958328 0.69111 0.806103 ] [ 0.541672 0.19111 0.693897 ] [ 0.57042 0.066263 0.864448 ] [ 0.92958 0.566263 0.635552 ] [ 0.42958 0.933737 0.135552 ] [ 0.07042 0.433737 0.364448 ] [ 0.830737 0.195678 0.618455 ] [ 0.669263 0.695678 0.881545 ] [ 0.169263 0.804322 0.381545 ] [ 0.330737 0.304322 0.118455 ] [ 0.311731 0.136693 0.535465 ] [ 0.188269 0.636693 0.964535 ] [ 0.926023 0.131787 0.253442 ] [ 0.573977 0.631787 0.246558 ] [ 0.073977 0.868213 0.746558 ] [ 0.426023 0.368213 0.753442 ] [ 0.811731 0.363307 0.035465 ] [ 0.688269 0.863307 0.464535 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "As" "As" "As" "As" "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" 5.3399120797 "source-unit" "angstrom" } "b" { "source-value" 8.66666112 "source-unit" "angstrom" } "c" { "source-value" 7.94616956322 "source-unit" "angstrom" } "beta" { "source-value" 96.7628660646 "source-unit" "degree" } }