[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B_mC120_15_e12f_e2f" } "stoichiometric-species" { "source-value" [ "F" "I" ] } "a" { "source-value" 9.1527 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.1527e-10 } "binding-potential-energy-per-atom" { "source-value" -11.41886963367429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.829504611376509e-18 } "binding-potential-energy-per-formula" { "source-value" -68.51321780204574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.097702766825905e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "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" [ 0.37037158 1.8502081 134.3163 0.038879535 0.53720134 0.34398024 0.5121085 0.21111235 0.81125995 0.030268034 0.26487416 0.80544875 0.71516159 0.25312708 0.25302121 0.3088765 0.13831208 0.69720546 0.90497609 0.17693585 0.5925563 0.7507721 0.093903118 0.91649565 0.18573186 0.34519404 0.61305583 0.48406274 0.33830818 0.46298406 0.61072836 0.30087101 0.76854373 0.73304496 0.30732368 0.66394987 0.87712887 0.22780157 0.21547178 0.93723078 0.67297889 0.17291131 0.79867607 0.057771988 0.046611371 0.69982925 0.40666185 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B_mC120_15_e12f_e2f" } "stoichiometric-species" { "source-value" [ "F" "I" ] } "a" { "source-value" 9.1527 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.1527e-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" "beta" "y1" "y2" "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" [ 0.37037158 1.8502081 134.3163 0.038879535 0.53720134 0.34398024 0.5121085 0.21111235 0.81125995 0.030268034 0.26487416 0.80544875 0.71516159 0.25312708 0.25302121 0.3088765 0.13831208 0.69720546 0.90497609 0.17693585 0.5925563 0.7507721 0.093903118 0.91649565 0.18573186 0.34519404 0.61305583 0.48406274 0.33830818 0.46298406 0.61072836 0.30087101 0.76854373 0.73304496 0.30732368 0.66394987 0.87712887 0.22780157 0.21547178 0.93723078 0.67297889 0.17291131 0.79867607 0.057771988 0.046611371 0.69982925 0.40666185 ] } } ]