[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP12_3_ab3e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.748 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.748000000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.55696954 1.193921 151.843 0.86461028 0.32713024 0.17900986 0.22302307 0.89326287 0.49019914 0.2755734 0.63490481 0.67228461 0.77061278 0.3784436 0.68109088 0.0072017217 0.86369977 0.8681673 0.42455876 0.56245408 ] } "binding-potential-energy-per-atom" { "source-value" -8.611104387630766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.379651024279689e-18 } "binding-potential-energy-per-formula" { "source-value" -25.833313162892296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.138953072839067e-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_mP12_3_ab3e_2e" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.748 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.748000000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.55696954 1.193921 151.843 0.86461028 0.32713024 0.17900986 0.22302307 0.89326287 0.49019914 0.2755734 0.63490481 0.67228461 0.77061278 0.3784436 0.68109088 0.0072017217 0.86369977 0.8681673 0.42455876 0.56245408 ] } "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" } } ]