[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B14C2D2_mP92_14_5e_14e_2e_2e" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 13.3057 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.33057e-09 } "binding-potential-energy-per-atom" { "source-value" -38.74099606929156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.206991868010478e-18 } "binding-potential-energy-per-formula" { "source-value" -891.0429095937059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.42760812964241e-16 } "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" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" ] } "parameter-values" { "source-value" [ 0.21078185 0.40239146 121.9029 0.5690222 0.83211068 0.16650425 0.68805653 0.13035749 0.42637817 0.48664677 0.88292306 0.72420976 0.68706494 0.65230151 0.31177477 0.70416789 0.84610043 0.090610496 0.70628975 0.98943607 0.27403823 0.60320536 0.33669501 0.87873349 0.60762586 0.99238985 0.74989198 0.64105827 0.057777242 0.87840663 0.65156271 0.97030799 0.1889824 0.63732877 0.82490334 0.39152097 0.61989234 0.13478147 0.18210251 0.62763045 0.32158605 0.24714931 0.61545725 0.87060151 0.85396879 0.567623 0.97878621 0.76822406 0.51152737 0.9735984 0.95586937 0.59534435 0.33904333 0.30166429 0.46406226 0.22122362 0.056288944 0.60032763 0.15063049 0.26167705 0.54104873 0.32865403 0.082513698 0.59157652 0.048981035 0.97144893 0.68280159 0.27384134 0.16942438 0.60572644 0.5812441 0.0065962828 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B14C2D2_mP92_14_5e_14e_2e_2e" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 13.3057 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.33057e-09 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "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" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" ] } "parameter-values" { "source-value" [ 0.21078185 0.40239146 121.9029 0.5690222 0.83211068 0.16650425 0.68805653 0.13035749 0.42637817 0.48664677 0.88292306 0.72420976 0.68706494 0.65230151 0.31177477 0.70416789 0.84610043 0.090610496 0.70628975 0.98943607 0.27403823 0.60320536 0.33669501 0.87873349 0.60762586 0.99238985 0.74989198 0.64105827 0.057777242 0.87840663 0.65156271 0.97030799 0.1889824 0.63732877 0.82490334 0.39152097 0.61989234 0.13478147 0.18210251 0.62763045 0.32158605 0.24714931 0.61545725 0.87060151 0.85396879 0.567623 0.97878621 0.76822406 0.51152737 0.9735984 0.95586937 0.59534435 0.33904333 0.30166429 0.46406226 0.22122362 0.056288944 0.60032763 0.15063049 0.26167705 0.54104873 0.32865403 0.082513698 0.59157652 0.048981035 0.97144893 0.68280159 0.27384134 0.16942438 0.60572644 0.5812441 0.0065962828 ] } } ]