[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B4C6D_oP52_54_f_2f_2c2f_c" } "stoichiometric-species" { "source-value" [ "C" "H" "O" "V" ] } "a" { "source-value" 8.805 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.805e-10 } "binding-potential-energy-per-atom" { "source-value" -4.912256993955971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.870303375919336e-19 } "binding-potential-energy-per-formula" { "source-value" -63.85934092142762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.023139438869514e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 0.91627484 0.99843271 0.030346546 0.43449076 0.84303089 0.24141434 0.21732224 0.0087189214 0.31592737 0.14817378 0.93405446 0.9340938 0.62878676 0.8151075 0.28743214 0.25581485 0.14940103 0.1004605 0.25468572 0.96338797 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B4C6D_oP52_54_f_2f_2c2f_c" } "stoichiometric-species" { "source-value" [ "C" "H" "O" "V" ] } "a" { "source-value" 8.805 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.805e-10 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 0.91627484 0.99843271 0.030346546 0.43449076 0.84303089 0.24141434 0.21732224 0.0087189214 0.31592737 0.14817378 0.93405446 0.9340938 0.62878676 0.8151075 0.28743214 0.25581485 0.14940103 0.1004605 0.25468572 0.96338797 ] } } ]