[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oI24_46_abc_c" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.9566 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.9566e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 1.0410362 0.78317798 0.89828555 0.057772276 0.89536864 0.37513346 0.51595782 0.10280006 0.9664721 0.69399699 0.75308285 ] } "binding-potential-energy-per-atom" { "source-value" -25.57038378682893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.096827142566974e-18 } "binding-potential-energy-per-formula" { "source-value" -76.7111513604868 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.229048142770092e-17 } "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_oI24_46_abc_c" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.9566 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.9566e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 1.0410362 0.78317798 0.89828555 0.057772276 0.89536864 0.37513346 0.51595782 0.10280006 0.9664721 0.69399699 0.75308285 ] } "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" } } ]