{ "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 0 0 ] [ 0 0.5 0 ] [ 0.400278 0.799466 0.799398 ] [ 0.400242 0.300199 0.799087 ] [ 0.200333 0.400684 0.401243 ] [ 0.799667 0.599316 0.598757 ] [ 0.799467 0.100172 0.599702 ] [ 0.200533 0.899828 0.400298 ] [ 0.599758 0.699801 0.200913 ] [ 0.599722 0.200534 0.200602 ] [ 0.696157 0.151532 0.89929 ] [ 0.099206 0.450322 0.700474 ] [ 0.696594 0.645977 0.898454 ] [ 0.100592 0.948933 0.696175 ] [ 0.500061 0.250024 0.498932 ] [ 0.499939 0.749976 0.501068 ] [ 0.303406 0.354023 0.101546 ] [ 0.900794 0.549678 0.299526 ] [ 0.899408 0.051067 0.303825 ] [ 0.303843 0.848468 0.10071 ] ] } "species" { "source-value" [ "Zn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.19347439 "source-unit" "angstrom" } "b" { "source-value" 5.99482745 "source-unit" "angstrom" } "c" { "source-value" 6.71379002 "source-unit" "angstrom" } "alpha" { "source-value" 102.91345598 "source-unit" "degree" } "beta" { "source-value" 97.48038283 "source-unit" "degree" } "gamma" { "source-value" 106.77088079 "source-unit" "degree" } }