{ "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" [ [ 0.354582 0.279938 0.608815 ] [ 0.354582 0.220062 0.108815 ] [ 0.645418 0.779938 0.891185 ] [ 0.645418 0.720062 0.391185 ] [ 0.164873 0.767752 0.811258 ] [ 0.164873 0.732248 0.311258 ] [ 0.835127 0.267752 0.688742 ] [ 0.835127 0.232248 0.188742 ] [ 0.066071 0.102525 0.689338 ] [ 0.066071 0.397475 0.189338 ] [ 0.172241 0.627692 0.562128 ] [ 0.172241 0.872308 0.062128 ] [ 0.32798 0.499665 0.880005 ] [ 0.390282 0.990899 0.828208 ] [ 0.32798 0.000335 0.380005 ] [ 0.390282 0.509101 0.328208 ] [ 0.609718 0.490899 0.671792 ] [ 0.67202 0.999665 0.619995 ] [ 0.609718 0.009101 0.171792 ] [ 0.67202 0.500335 0.119995 ] [ 0.827759 0.127692 0.937872 ] [ 0.827759 0.372308 0.437872 ] [ 0.933929 0.602525 0.810662 ] [ 0.933929 0.897475 0.310662 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Nb" "Nb" "Nb" "Nb" "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" 7.61189279 "source-unit" "angstrom" } "b" { "source-value" 5.38651337 "source-unit" "angstrom" } "c" { "source-value" 7.67322801 "source-unit" "angstrom" } "beta" { "source-value" 98.43093421 "source-unit" "degree" } }