[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_mP64_14_16e" } "stoichiometric-species" { "source-value" [ "Se" ] } "a" { "source-value" 15.6398 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -3.49046 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -3.49046 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" ] } "parameter-values" { "source-value" [ 0.95673218 0.66356347 92.8661 0.81843352 0.14350328 0.95187146 0.77184092 0.28914902 0.8911068 0.64810345 0.32162398 0.0055018495 0.52892611 0.29738021 0.86062347 0.47199229 0.15456911 0.90367975 0.52431815 0.05141916 0.75335196 0.64443626 0.97691932 0.85265432 0.77067826 0.045833136 0.78382115 0.91386956 0.49007414 0.84688763 0.99509758 0.60377579 0.75223374 0.013615829 0.72148261 0.9038959 0.90897342 0.83249907 0.85624595 0.79542569 0.8064292 0.99297725 0.68708848 0.73219851 0.86622017 0.69226405 0.57894997 0.92293434 0.77042875 0.50520873 0.76513507 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A_mP64_14_16e" } "stoichiometric-species" { "source-value" [ "Se" ] } "a" { "source-value" 15.6398 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" ] } "parameter-values" { "source-value" [ 0.95673218 0.66356347 92.8661 0.81843352 0.14350328 0.95187146 0.77184092 0.28914902 0.8911068 0.64810345 0.32162398 0.0055018495 0.52892611 0.29738021 0.86062347 0.47199229 0.15456911 0.90367975 0.52431815 0.05141916 0.75335196 0.64443626 0.97691932 0.85265432 0.77067826 0.045833136 0.78382115 0.91386956 0.49007414 0.84688763 0.99509758 0.60377579 0.75223374 0.013615829 0.72148261 0.9038959 0.90897342 0.83249907 0.85624595 0.79542569 0.8064292 0.99297725 0.68708848 0.73219851 0.86622017 0.69226405 0.57894997 0.92293434 0.77042875 0.50520873 0.76513507 ] } } ]