[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A8B21_aP29_2_4i_a10i" } "stoichiometric-species" { "source-value" [ "Cr" "O" ] } "a" { "source-value" 5.524 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -6.93238 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -201.03902 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "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" ] } "parameter-values" { "source-value" [ 2.2459088 1.2143917 105.3724 78.2249 90.5493 0.34771203 0.4315449 0.64443347 0.79401386 0.60331256 0.83357502 0.84756171 0.24731401 0.62432598 0.22788938 0.97265368 0.76480033 0.30248703 0.43627223 0.94570024 0.92440593 0.45366196 0.28667707 0.62892952 0.31904978 0.57042014 0.88571364 0.68910355 0.41016444 0.19399732 0.26440665 0.11701157 0.41048032 0.44372087 0.34125765 0.88369368 0.10908053 0.45362061 0.53864988 0.092205802 0.2096614 0.68572317 0.91233448 0.28464927 0.77094659 0.24264771 0.86361606 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A8B21_aP29_2_4i_a10i" } "stoichiometric-species" { "source-value" [ "Cr" "O" ] } "a" { "source-value" 5.524 "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" "alpha" "beta" "gamma" "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" ] } "parameter-values" { "source-value" [ 2.2459088 1.2143917 105.3724 78.2249 90.5493 0.34771203 0.4315449 0.64443347 0.79401386 0.60331256 0.83357502 0.84756171 0.24731401 0.62432598 0.22788938 0.97265368 0.76480033 0.30248703 0.43627223 0.94570024 0.92440593 0.45366196 0.28667707 0.62892952 0.31904978 0.57042014 0.88571364 0.68910355 0.41016444 0.19399732 0.26440665 0.11701157 0.41048032 0.44372087 0.34125765 0.88369368 0.10908053 0.45362061 0.53864988 0.092205802 0.2096614 0.68572317 0.91233448 0.28464927 0.77094659 0.24264771 0.86361606 ] } } ]