[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB9C9_aP38_2_i_9i_9i" } "stoichiometric-species" { "source-value" [ "C" "H" "N" ] } "a" { "source-value" 4.2837 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.2837e-10 } "binding-potential-energy-per-atom" { "source-value" -48.57068403383596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.781881505640883e-18 } "binding-potential-energy-per-formula" { "source-value" -922.8429966428832 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.478557486071768e-16 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "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" ] } "parameter-values" { "source-value" [ 0.53958027 2.3547634 84.689 96.1474 95.6762 0.88210024 0.73993841 0.28632765 0.57521887 0.98584372 0.54710193 0.46768494 0.81648878 0.56294637 0.42049596 0.58573959 0.54409992 0.35939455 0.62104671 0.59253337 0.65732977 0.096841684 0.63111004 0.65871124 0.36707122 0.62651519 0.65311619 0.18912727 0.57185404 0.69463877 0.94856143 0.58836866 0.51141213 0.13221578 0.49948659 0.84754658 0.65986543 0.43154933 0.13250343 0.73519919 0.38833211 0.11438102 0.26126265 0.31609394 0.77740163 0.19565611 0.35155067 0.96486949 0.80533017 0.55458844 0.4440859 0.20498906 0.59633144 0.5551507 0.70425422 0.65604461 0.64846506 0.60129095 0.53695118 0.73989536 0.13506665 0.48733213 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB9C9_aP38_2_i_9i_9i" } "stoichiometric-species" { "source-value" [ "C" "H" "N" ] } "a" { "source-value" 4.2837 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.2837e-10 } "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" "alpha" "beta" "gamma" "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" ] } "parameter-values" { "source-value" [ 0.53958027 2.3547634 84.689 96.1474 95.6762 0.88210024 0.73993841 0.28632765 0.57521887 0.98584372 0.54710193 0.46768494 0.81648878 0.56294637 0.42049596 0.58573959 0.54409992 0.35939455 0.62104671 0.59253337 0.65732977 0.096841684 0.63111004 0.65871124 0.36707122 0.62651519 0.65311619 0.18912727 0.57185404 0.69463877 0.94856143 0.58836866 0.51141213 0.13221578 0.49948659 0.84754658 0.65986543 0.43154933 0.13250343 0.73519919 0.38833211 0.11438102 0.26126265 0.31609394 0.77740163 0.19565611 0.35155067 0.96486949 0.80533017 0.55458844 0.4440859 0.20498906 0.59633144 0.5551507 0.70425422 0.65604461 0.64846506 0.60129095 0.53695118 0.73989536 0.13506665 0.48733213 ] } } ]