[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mC96_12_g3i6j_4j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 19.1693 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.91693e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "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" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" ] } "parameter-values" { "source-value" [ 0.71946289 0.99665089 156.2874 0.35451508 0.72627984 0.18732997 0.78426505 0.44627162 0.60813702 0.84131643 0.77810943 0.8698816 0.33694911 0.80894498 0.81409144 0.2318966 0.90127427 0.82393583 0.57564643 0.79063866 0.86948699 0.082055406 0.55584412 0.85635018 0.24121455 0.63086213 0.81373477 0.81835022 0.70445228 0.88585653 0.18974473 0.75240098 0.8861682 0.39757984 0.61880878 0.88605455 0.87510564 0.89181578 0.79797356 0.22998426 ] } "binding-potential-energy-per-atom" { "source-value" -6.694247557884119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.07253670194535e-18 } "binding-potential-energy-per-formula" { "source-value" -20.08274267365236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.217610105836049e-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_mC96_12_g3i6j_4j" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 19.1693 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.91693e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "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" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" ] } "parameter-values" { "source-value" [ 0.71946289 0.99665089 156.2874 0.35451508 0.72627984 0.18732997 0.78426505 0.44627162 0.60813702 0.84131643 0.77810943 0.8698816 0.33694911 0.80894498 0.81409144 0.2318966 0.90127427 0.82393583 0.57564643 0.79063866 0.86948699 0.082055406 0.55584412 0.85635018 0.24121455 0.63086213 0.81373477 0.81835022 0.70445228 0.88585653 0.18974473 0.75240098 0.8861682 0.39757984 0.61880878 0.88605455 0.87510564 0.89181578 0.79797356 0.22998426 ] } "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" } } ]