[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tI24_87_2h_h" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 9.0836 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.083600000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "x2" "y2" "x3" "y3" ] } "parameter-values" { "source-value" [ 0.36859835 0.043788635 0.34015242 0.35818804 0.33613607 0.22439184 0.46428106 ] } "binding-potential-energy-per-atom" { "source-value" -6.540134441259645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.047845058500485e-18 } "binding-potential-energy-per-formula" { "source-value" -19.620403323778934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143535175501454e-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_tI24_87_2h_h" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 9.0836 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.083600000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "x2" "y2" "x3" "y3" ] } "parameter-values" { "source-value" [ 0.36859835 0.043788635 0.34015242 0.35818804 0.33613607 0.22439184 0.46428106 ] } "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" } } ]