{ "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" [ [ 0.490149 0.7462 0.155068 ] [ 0.509851 0.2538 0.844932 ] [ 0.971386 0.256891 0.328978 ] [ 0.028614 0.743109 0.671022 ] [ 0.726227 0.904286 0.879999 ] [ 0.78879 0.427668 0.623386 ] [ 0.753576 0.434412 0.148916 ] [ 0.246424 0.565588 0.851084 ] [ 0.217648 0.043411 0.586073 ] [ 0.782352 0.956589 0.413927 ] [ 0.21121 0.572332 0.376614 ] [ 0.273773 0.095714 0.120001 ] ] } "species" { "source-value" [ "Cu" "Cu" "Mo" "Mo" "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" 4.81039964988 "source-unit" "angstrom" } "b" { "source-value" 4.95134184592 "source-unit" "angstrom" } "c" { "source-value" 6.04119349845 "source-unit" "angstrom" } "alpha" { "source-value" 86.9746711047 "source-unit" "degree" } "beta" { "source-value" 79.7702962443 "source-unit" "degree" } "gamma" { "source-value" 85.6174936353 "source-unit" "degree" } }