{ "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" [ [ 0.66648 0.314172 0.762387 ] [ 0.33352 0.685828 0.237613 ] [ 0.684679 0.31923 0.248717 ] [ 0.315321 0.68077 0.751283 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.290744 0.872784 0.589371 ] [ 0.709256 0.127216 0.410629 ] [ 0.629064 0.775699 0.945341 ] [ 0.370936 0.224301 0.054659 ] [ 0.073421 0.679043 0.884331 ] [ 0.926579 0.320957 0.115669 ] [ 0.085355 0.944687 0.252799 ] [ 0.914645 0.055313 0.747201 ] [ 0.723872 0.645445 0.397761 ] [ 0.276128 0.354555 0.602239 ] ] } "species" { "source-value" [ "Cd" "Cd" "Ge" "Ge" "Ge" "Ge" "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" 5.45570156 "source-unit" "angstrom" } "b" { "source-value" 5.60612117 "source-unit" "angstrom" } "c" { "source-value" 7.05155801 "source-unit" "angstrom" } "alpha" { "source-value" 105.36140546 "source-unit" "degree" } "beta" { "source-value" 103.00143834 "source-unit" "degree" } "gamma" { "source-value" 106.14216762 "source-unit" "degree" } }