[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oC108_63_acd2fg2h_cfgh" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.5707 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.570700000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "y2" "y3" "y5" "z5" "y6" "z6" "y7" "z7" "x8" "y8" "x9" "y9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" ] } "parameter-values" { "source-value" [ 2.5014332 1.8663664 0.25938206 0.85848898 0.65792332 0.46013721 0.90797966 0.345361 0.91952713 0.46075294 0.67189127 0.30688175 0.79564565 0.23649723 0.75439787 0.18738135 0.34010902 0.82482116 0.1166891 0.49741976 0.70555636 0.17672046 0.44932263 ] } "binding-potential-energy-per-atom" { "source-value" -7.597368654071336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.217232653743712e-18 } "binding-potential-energy-per-formula" { "source-value" -22.79210596221401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.651697961231137e-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_oC108_63_acd2fg2h_cfgh" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 7.5707 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.570700000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "y2" "y3" "y5" "z5" "y6" "z6" "y7" "z7" "x8" "y8" "x9" "y9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" ] } "parameter-values" { "source-value" [ 2.5014332 1.8663664 0.25938206 0.85848898 0.65792332 0.46013721 0.90797966 0.345361 0.91952713 0.46075294 0.67189127 0.30688175 0.79564565 0.23649723 0.75439787 0.18738135 0.34010902 0.82482116 0.1166891 0.49741976 0.70555636 0.17672046 0.44932263 ] } "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" } } ]