[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_cP72_205_2d_d" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.3854 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.03854e-09 } "parameter-names" { "source-value" [ "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.58986673 0.70800554 0.22005646 0.71676195 0.53501065 0.084674439 0.67071934 0.68348256 0.08999575 ] } "binding-potential-energy-per-atom" { "source-value" -6.47334461344403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.037144148348979e-18 } "binding-potential-energy-per-formula" { "source-value" -19.42003384033209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.111432445046936e-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_cP72_205_2d_d" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 10.3854 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.03854e-09 } "parameter-names" { "source-value" [ "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.58986673 0.70800554 0.22005646 0.71676195 0.53501065 0.084674439 0.67071934 0.68348256 0.08999575 ] } "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" } } ]