[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP52_156_10a8b8c_10a9b7c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 2.1002 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.1002e-10 } "binding-potential-energy-per-atom" { "source-value" -11.918504902785088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.909555006745671e-18 } "binding-potential-energy-per-formula" { "source-value" -23.837009805570176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.819110013491342e-18 } "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" "z21" "z22" "z23" "z24" "z25" "z26" "z27" "z28" "z29" "z30" "z31" "z32" "z33" "z34" "z35" "z36" "z37" "z38" "z39" "z40" "z41" "z42" "z43" "z44" "z45" "z46" "z47" "z48" "z49" "z50" "z51" "z52" ] } "parameter-values" { "source-value" [ 68.755214 0.01956753 0.074291619 0.15637829 0.23846507 0.30482694 0.48461906 0.53935351 0.6488061 0.71079464 0.7518442 0.63416721 0.059656794 0.0049325799 0.67507563 0.52471868 0.14174346 0.46975287 0.22383014 0.73706425 0.27865252 0.12901607 0.046929514 0.9647977 0.68778263 0.59407782 0.21110274 0.31640884 0.51199138 0.032294808 0.76479613 0.66162745 0.57944311 0.72351221 0.4973561 0.29210591 0.19646791 0.11438124 0.26583112 0.99220478 0.10165384 0.6992884 0.62143993 0.56671583 0.3436835 0.18374052 0.25119224 0.6068051 0.087019014 0.5520809 0.97756157 0.16910569 0.32903833 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_hP52_156_10a8b8c_10a9b7c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 2.1002 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.1002e-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" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" "z9" "z10" "z11" "z12" "z13" "z14" "z15" "z16" "z17" "z18" "z19" "z20" "z21" "z22" "z23" "z24" "z25" "z26" "z27" "z28" "z29" "z30" "z31" "z32" "z33" "z34" "z35" "z36" "z37" "z38" "z39" "z40" "z41" "z42" "z43" "z44" "z45" "z46" "z47" "z48" "z49" "z50" "z51" "z52" ] } "parameter-values" { "source-value" [ 68.755214 0.01956753 0.074291619 0.15637829 0.23846507 0.30482694 0.48461906 0.53935351 0.6488061 0.71079464 0.7518442 0.63416721 0.059656794 0.0049325799 0.67507563 0.52471868 0.14174346 0.46975287 0.22383014 0.73706425 0.27865252 0.12901607 0.046929514 0.9647977 0.68778263 0.59407782 0.21110274 0.31640884 0.51199138 0.032294808 0.76479613 0.66162745 0.57944311 0.72351221 0.4973561 0.29210591 0.19646791 0.11438124 0.26583112 0.99220478 0.10165384 0.6992884 0.62143993 0.56671583 0.3436835 0.18374052 0.25119224 0.6068051 0.087019014 0.5520809 0.97756157 0.16910569 0.32903833 ] } } ]