[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP6_136_f_a" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 4.7411 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7411e-10 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.59237308 0.34702916 ] } "binding-potential-energy-per-atom" { "source-value" -6.324415263685467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.01328303591898e-18 } "binding-potential-energy-per-formula" { "source-value" -18.973245791056403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.039849107756941e-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_tP6_136_f_a" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 4.7411 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7411e-10 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.59237308 0.34702916 ] } "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" } } ]