[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3C3_hP42_145_2a_6a_6a" } "stoichiometric-species" { "source-value" [ "B" "H" "O" ] } "a" { "source-value" 3.4012 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4012e-10 } "binding-potential-energy-per-atom" { "source-value" -32.17960989016552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.155741905725851e-18 } "binding-potential-energy-per-formula" { "source-value" -225.25726923115866 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609019334008095e-17 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "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" [ 1.4652476 0.36557977 0.46464824 0.082955125 0.92150818 0.96579473 0.51480342 0.56686274 0.21511535 0.2777908 0.55796831 0.39484764 0.24913611 0.75015137 0.42037778 0.25439014 0.39040221 0.1142643 0.34415114 0.72155405 0.54930187 0.18079103 0.80675665 0.60455433 0.56767461 0.83132002 0.19303656 0.2917661 0.26330313 0.32016477 0.36050119 0.64121524 0.38544647 0.42941669 0.41477234 0.89880484 0.2221219 0.011524658 0.54125699 0.13585469 0.6165802 0.69895209 0.30980174 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3C3_hP42_145_2a_6a_6a" } "stoichiometric-species" { "source-value" [ "B" "H" "O" ] } "a" { "source-value" 3.4012 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4012e-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" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "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" [ 1.4652476 0.36557977 0.46464824 0.082955125 0.92150818 0.96579473 0.51480342 0.56686274 0.21511535 0.2777908 0.55796831 0.39484764 0.24913611 0.75015137 0.42037778 0.25439014 0.39040221 0.1142643 0.34415114 0.72155405 0.54930187 0.18079103 0.80675665 0.60455433 0.56767461 0.83132002 0.19303656 0.2917661 0.26330313 0.32016477 0.36050119 0.64121524 0.38544647 0.42941669 0.41477234 0.89880484 0.2221219 0.011524658 0.54125699 0.13585469 0.6165802 0.69895209 0.30980174 ] } } ]