[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP20_156_4a3b3c_4a3b3c" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 2.3013 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.3013e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" ] } "parameter-values" { "source-value" [ 10.414635 0.45843642 0.65566633 0.91225877 0.30622419 0.77608238 0.15088177 0.38113893 0.57868581 0.92991339 0.63070161 0.20223273 0.84640137 0.508288 0.04820565 0.43345109 0.099559582 0.89460974 0.25369471 0.97810994 0.70545759 ] } "binding-potential-energy-per-atom" { "source-value" -28.329166979332665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.538832939497115e-18 } "binding-potential-energy-per-formula" { "source-value" -56.65833395866533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.07766587899423e-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_hP20_156_4a3b3c_4a3b3c" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 2.3013 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.3013e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" ] } "parameter-values" { "source-value" [ 10.414635 0.45843642 0.65566633 0.91225877 0.30622419 0.77608238 0.15088177 0.38113893 0.57868581 0.92991339 0.63070161 0.20223273 0.84640137 0.508288 0.04820565 0.43345109 0.099559582 0.89460974 0.25369471 0.97810994 0.70545759 ] } "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" } } ]