[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_mC48_8_12a_12a" } "stoichiometric-species" { "source-value" [ "Mg" "O" ] } "a" { "source-value" 19.971 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.9971e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" "x11" "z11" "x12" "z12" "x13" "z13" "x14" "z14" "x15" "z15" "x16" "z16" "x17" "z17" "x18" "z18" "x19" "z19" "x20" "z20" "x21" "z21" "x22" "z22" "x23" "z23" "x24" "z24" ] } "parameter-values" { "source-value" [ 0.11270843 0.39925893 87.6316 0.98657559 0.29799977 0.68216461 0.88705596 0.79127425 0.68743014 0.71417419 0.44364262 0.51963301 0.60119942 0.99391691 0.88802502 0.13306295 0.6491423 0.38642458 0.98708395 0.30704614 0.25966504 0.39928066 0.50363568 0.18710665 0.16270421 0.57163798 0.086847202 0.56370431 0.35069138 0.62619397 0.30327471 0.60904978 0.46068833 0.073071944 0.4400156 0.90300238 0.72754912 0.57656534 0.81633125 0.40715687 0.23822797 0.090305388 0.28245637 0.36965096 0.74631771 0.096214301 0.88470908 0.1356181 0.39270194 0.43562386 0.74551137 ] } "binding-potential-energy-per-atom" { "source-value" -7.96412202166623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.275993021343848e-18 } "binding-potential-energy-per-formula" { "source-value" -15.92824404333246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.551986042687695e-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" "AB_mC48_8_12a_12a" } "stoichiometric-species" { "source-value" [ "Mg" "O" ] } "a" { "source-value" 19.971 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.9971e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "z7" "x8" "z8" "x9" "z9" "x10" "z10" "x11" "z11" "x12" "z12" "x13" "z13" "x14" "z14" "x15" "z15" "x16" "z16" "x17" "z17" "x18" "z18" "x19" "z19" "x20" "z20" "x21" "z21" "x22" "z22" "x23" "z23" "x24" "z24" ] } "parameter-values" { "source-value" [ 0.11270843 0.39925893 87.6316 0.98657559 0.29799977 0.68216461 0.88705596 0.79127425 0.68743014 0.71417419 0.44364262 0.51963301 0.60119942 0.99391691 0.88802502 0.13306295 0.6491423 0.38642458 0.98708395 0.30704614 0.25966504 0.39928066 0.50363568 0.18710665 0.16270421 0.57163798 0.086847202 0.56370431 0.35069138 0.62619397 0.30327471 0.60904978 0.46068833 0.073071944 0.4400156 0.90300238 0.72754912 0.57656534 0.81633125 0.40715687 0.23822797 0.090305388 0.28245637 0.36965096 0.74631771 0.096214301 0.88470908 0.1356181 0.39270194 0.43562386 0.74551137 ] } "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" } } ]