[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A14B13_mC54_12_gh3ij_a2i2j" } "stoichiometric-species" { "source-value" [ "Al" "Ca" ] } "a" { "source-value" 32.7611 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.27611e-09 } "binding-potential-energy-per-atom" { "source-value" -8.58106419479669 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.374838054775728e-18 } "binding-potential-energy-per-formula" { "source-value" -231.68873325951063 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.712062747894466e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y2" "y3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.49285891 1.0457921 148.1461 0.6801474 0.217919 0.67808811 0.73526001 0.95380209 0.12805351 0.54314481 0.80258987 0.30597823 0.43582723 0.18932199 0.74706007 0.40984353 0.68728594 0.60566085 0.75974236 0.70221558 0.92737803 0.32620004 0.81645854 0.71780548 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A14B13_mC54_12_gh3ij_a2i2j" } "stoichiometric-species" { "source-value" [ "Al" "Ca" ] } "a" { "source-value" 32.7611 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.27611e-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" "y2" "y3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.49285891 1.0457921 148.1461 0.6801474 0.217919 0.67808811 0.73526001 0.95380209 0.12805351 0.54314481 0.80258987 0.30597823 0.43582723 0.18932199 0.74706007 0.40984353 0.68728594 0.60566085 0.75974236 0.70221558 0.92737803 0.32620004 0.81645854 0.71780548 ] } } ]