[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP48_114_4e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 11.0494 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.10494e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.45640487 0.11979125 0.57692119 0.058752274 0.84320324 0.2056015 0.23120727 0.72697475 0.062719076 0.8318315 0.96305564 0.1301415 0.84917405 0.17587971 0.56791623 0.76684928 0.65906516 0.59585262 0.48026704 ] } "binding-potential-energy-per-atom" { "source-value" -13.624655289595244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.1829104351294e-18 } "binding-potential-energy-per-formula" { "source-value" -40.87396586878573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.548731305388201e-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_tP48_114_4e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 11.0494 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.10494e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.45640487 0.11979125 0.57692119 0.058752274 0.84320324 0.2056015 0.23120727 0.72697475 0.062719076 0.8318315 0.96305564 0.1301415 0.84917405 0.17587971 0.56791623 0.76684928 0.65906516 0.59585262 0.48026704 ] } "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" } } ]