[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_hR36_167_d3e_f" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 15.74977 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.574977e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.15802324 0.53469783 0.82624921 0.95562992 0.39192178 0.28196682 0.69371178 ] } "binding-potential-energy-per-atom" { "source-value" -27.431463304841614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.395004954344565e-18 } "binding-potential-energy-per-formula" { "source-value" -82.29438991452484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.318501486303369e-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_hR36_167_d3e_f" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 15.74977 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.574977e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.15802324 0.53469783 0.82624921 0.95562992 0.39192178 0.28196682 0.69371178 ] } "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" } } ]