[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A6B5C14_oC100_36_2a2b_a2b_4a5b" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" ] } "a" { "source-value" 11.1415 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.11415e-09 } "binding-potential-energy-per-atom" { "source-value" -11.011819471889467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764287985568752e-18 } "binding-potential-energy-per-formula" { "source-value" -275.29548679723666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.410719963921881e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "y5" "z5" "y6" "z6" "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" [ 0.99045012 0.93073644 0.30008057 0.4323913 0.006568344 0.45876354 0.52006494 0.24218476 0.63662031 0.56651169 0.1498878 0.3897688 0.01414397 0.62283265 0.30698308 0.59507266 0.8567874 0.64649724 0.51396114 0.24491883 0.40069525 0.4770587 0.66085908 0.59856797 0.24208117 0.8589694 0.8199375 0.20409993 0.78456471 0.77556208 0.56730904 0.77827605 0.52322019 0.57914276 0.3738537 0.43907038 0.39601769 0.84378 0.64717174 0.35093732 0.12793597 0.36883492 0.37707955 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A6B5C14_oC100_36_2a2b_a2b_4a5b" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" ] } "a" { "source-value" 11.1415 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.11415e-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" "y1" "z1" "y2" "z2" "y3" "z3" "y4" "z4" "y5" "z5" "y6" "z6" "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" [ 0.99045012 0.93073644 0.30008057 0.4323913 0.006568344 0.45876354 0.52006494 0.24218476 0.63662031 0.56651169 0.1498878 0.3897688 0.01414397 0.62283265 0.30698308 0.59507266 0.8567874 0.64649724 0.51396114 0.24491883 0.40069525 0.4770587 0.66085908 0.59856797 0.24208117 0.8589694 0.8199375 0.20409993 0.78456471 0.77556208 0.56730904 0.77827605 0.52322019 0.57914276 0.3738537 0.43907038 0.39601769 0.84378 0.64717174 0.35093732 0.12793597 0.36883492 0.37707955 ] } } ]