[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP36_156_7a6b5c_7a6b5c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.3637 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3637e-10 } "binding-potential-energy-per-atom" { "source-value" -9.348382656873833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.497776025853409e-18 } "binding-potential-energy-per-formula" { "source-value" -18.696765313747665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.995552051706819e-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" ] } "parameter-values" { "source-value" [ 9.7447454 0.39671757 0.52620047 0.65932144 0.78827852 0.91901915 0.051497059 0.26671648 0.98578549 0.19653951 0.3300635 0.46039015 0.59049097 0.72325935 0.85274252 0.54962256 0.14483568 0.41474674 0.015948555 0.81607131 0.68165468 0.079498469 0.3472195 0.48158722 0.61807474 0.94943135 0.75012952 0.43323752 0.16713307 0.033510603 0.69450791 0.29759852 0.23249107 0.36862676 0.5031609 0.88572539 0.10246019 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_hP36_156_7a6b5c_7a6b5c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.3637 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3637e-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" ] } "parameter-values" { "source-value" [ 9.7447454 0.39671757 0.52620047 0.65932144 0.78827852 0.91901915 0.051497059 0.26671648 0.98578549 0.19653951 0.3300635 0.46039015 0.59049097 0.72325935 0.85274252 0.54962256 0.14483568 0.41474674 0.015948555 0.81607131 0.68165468 0.079498469 0.3472195 0.48158722 0.61807474 0.94943135 0.75012952 0.43323752 0.16713307 0.033510603 0.69450791 0.29759852 0.23249107 0.36862676 0.5031609 0.88572539 0.10246019 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "AB_hP36_156_7a6b5c_7a6b5c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.4104 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4104e-10 } "binding-potential-energy-per-atom" { "source-value" -10.144843493967882 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.625383120162226e-18 } "binding-potential-energy-per-formula" { "source-value" -20.289686987935763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.250766240324452e-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" ] } "parameter-values" { "source-value" [ 8.7731351 0.85162837 0.70767821 0.13827626 0.28267452 0.4266244 0.56654576 0.99634902 0.92564795 0.06878198 0.21094352 0.35620371 0.49792877 0.63657246 0.77846827 0.97229041 0.83133633 0.54998463 0.40341632 0.11581558 0.26204836 0.90084475 0.65990498 0.47681513 0.33168649 0.044526152 0.18544209 0.3010982 0.68551697 0.87028848 0.53042268 0.10199175 0.79957803 0.60283219 0.45205652 0.23055231 0.021736487 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "AB_hP36_156_7a6b5c_7a6b5c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.4104 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4104e-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" ] } "parameter-values" { "source-value" [ 8.7731351 0.85162837 0.70767821 0.13827626 0.28267452 0.4266244 0.56654576 0.99634902 0.92564795 0.06878198 0.21094352 0.35620371 0.49792877 0.63657246 0.77846827 0.97229041 0.83133633 0.54998463 0.40341632 0.11581558 0.26204836 0.90084475 0.65990498 0.47681513 0.33168649 0.044526152 0.18544209 0.3010982 0.68551697 0.87028848 0.53042268 0.10199175 0.79957803 0.60283219 0.45205652 0.23055231 0.021736487 ] } } ]