[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tI96_140_ehlm_jl" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 13.6793 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.36793e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.78135577 0.22332645 0.35044691 0.57681649 0.82232817 0.30717568 0.64055152 0.70890969 0.92530138 0.16103467 ] } "binding-potential-energy-per-atom" { "source-value" -13.50259963473736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.163354963303313e-18 } "binding-potential-energy-per-formula" { "source-value" -40.50779890421208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.490064889909939e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_tI96_140_ehlm_jl" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 13.6793 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.36793e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.78135577 0.22332645 0.35044691 0.57681649 0.82232817 0.30717568 0.64055152 0.70890969 0.92530138 0.16103467 ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]