[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC72_12_gh2i4j_3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 14.2585 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.42585e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.97323702 0.52857594 78.4531 0.86480409 0.75997709 0.89771011 0.9020131 0.75301366 0.37473316 0.8172347 0.87177391 0.13244164 0.38122402 0.32286767 0.78421121 0.67126579 0.82445249 0.39179606 0.84032576 0.84450214 0.46261501 0.39695922 0.38649985 0.95129496 0.76777503 0.88635887 0.34278019 0.38909734 0.27404901 0.58856438 ] } "binding-potential-energy-per-atom" { "source-value" -19.2854068380104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.089862821304408e-18 } "binding-potential-energy-per-formula" { "source-value" -57.85622051403119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.269588463913224e-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_mC72_12_gh2i4j_3j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 14.2585 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.42585e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "z3" "x4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.97323702 0.52857594 78.4531 0.86480409 0.75997709 0.89771011 0.9020131 0.75301366 0.37473316 0.8172347 0.87177391 0.13244164 0.38122402 0.32286767 0.78421121 0.67126579 0.82445249 0.39179606 0.84032576 0.84450214 0.46261501 0.39695922 0.38649985 0.95129496 0.76777503 0.88635887 0.34278019 0.38909734 0.27404901 0.58856438 ] } "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" } } ]