[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.0800041305458916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584113e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091783 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168226e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.81250092 0.026786632 0.16964377 0.24107235 0.38392949 0.45535806 0.5982152 0.95535806 0.66964377 0.88392949 0.92857235 0.85714377 0.7857152 0.0 0.14285806 0.21428663 0.35714377 0.64285806 0.42857235 0.57142949 0.52678663 0.41964377 0.098215204 0.8482152 0.74107235 0.63392949 0.20535806 0.31250092 0.99107235 0.071429489 0.17857235 0.2857152 0.39285806 0.50000092 0.60714377 0.71428663 0.82142949 0.96428663 0.91964377 0.49107235 0.13392949 0.3482152 0.77678663 0.56250092 0.27678663 0.70535806 0.062500918 0.25000092 0.035715204 0.10714378 0.89285806 0.32142949 0.46428663 0.5357152 0.67857235 0.75000092 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.81250092 0.026786632 0.16964377 0.24107235 0.38392949 0.45535806 0.5982152 0.95535806 0.66964377 0.88392949 0.92857235 0.85714377 0.7857152 0.0 0.14285806 0.21428663 0.35714377 0.64285806 0.42857235 0.57142949 0.52678663 0.41964377 0.098215204 0.8482152 0.74107235 0.63392949 0.20535806 0.31250092 0.99107235 0.071429489 0.17857235 0.2857152 0.39285806 0.50000092 0.60714377 0.71428663 0.82142949 0.96428663 0.91964377 0.49107235 0.13392949 0.3482152 0.77678663 0.56250092 0.27678663 0.70535806 0.062500918 0.25000092 0.035715204 0.10714378 0.89285806 0.32142949 0.46428663 0.5357152 0.67857235 0.75000092 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.080004130545879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584093e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168185e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.098215357 0.84821536 0.4910725 0.95535821 0.38392964 0.56250107 0.31250107 0.66964393 0.20535821 0.7410725 0.35714393 0.28571536 0.9285725 0.1785725 0.46428679 0.071429643 0.53571536 0.71428679 0.64285821 0.82142964 0.27678679 0.16964393 0.062501072 0.52678679 0.63392964 0.77678679 0.88392964 0.41964393 0.9910725 0.25000107 0.14285821 0.50000107 0.035715357 0.60714393 0.75000107 0.85714393 0.39285821 0.96428679 0.70535821 0.59821536 0.45535821 0.81250107 0.2410725 0.13392964 0.026786786 0.34821536 0.91964393 1.0715966e-06 0.6785725 0.32142964 0.4285725 0.21428679 0.89285821 0.10714393 0.78571536 0.57142964 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.098215357 0.84821536 0.4910725 0.95535821 0.38392964 0.56250107 0.31250107 0.66964393 0.20535821 0.7410725 0.35714393 0.28571536 0.9285725 0.1785725 0.46428679 0.071429643 0.53571536 0.71428679 0.64285821 0.82142964 0.27678679 0.16964393 0.062501072 0.52678679 0.63392964 0.77678679 0.88392964 0.41964393 0.9910725 0.25000107 0.14285821 0.50000107 0.035715357 0.60714393 0.75000107 0.85714393 0.39285821 0.96428679 0.70535821 0.59821536 0.45535821 0.81250107 0.2410725 0.13392964 0.026786786 0.34821536 0.91964393 1.0715966e-06 0.6785725 0.32142964 0.4285725 0.21428679 0.89285821 0.10714393 0.78571536 0.57142964 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 5 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.080004130545883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584099e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168199e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.59821536 0.31250107 0.098215357 0.20535821 0.9910725 0.88392964 0.41964393 0.77678679 0.4910725 0.66964393 0.85714393 0.75000107 0.96428679 0.1785725 0.64285821 0.39285821 0.071429643 0.57142964 0.46428679 0.28571536 0.27678679 0.16964393 0.062501071 0.91964393 0.84821536 0.7410725 0.63392964 0.52678679 0.38392964 0.25000107 0.35714393 0.89285821 0.14285821 0.82142964 0.035715357 0.50000107 0.71428679 0.60714393 0.56250107 0.70535821 0.45535821 0.81250107 0.34821536 0.95535821 0.026786786 0.2410725 0.13392964 0.53571536 0.10714393 0.21428679 1.0712884e-06 0.32142964 0.6785725 0.4285725 0.9285725 0.78571536 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 6 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.59821536 0.31250107 0.098215357 0.20535821 0.9910725 0.88392964 0.41964393 0.77678679 0.4910725 0.66964393 0.85714393 0.75000107 0.96428679 0.1785725 0.64285821 0.39285821 0.071429643 0.57142964 0.46428679 0.28571536 0.27678679 0.16964393 0.062501071 0.91964393 0.84821536 0.7410725 0.63392964 0.52678679 0.38392964 0.25000107 0.35714393 0.89285821 0.14285821 0.82142964 0.035715357 0.50000107 0.71428679 0.60714393 0.56250107 0.70535821 0.45535821 0.81250107 0.34821536 0.95535821 0.026786786 0.2410725 0.13392964 0.53571536 0.10714393 0.21428679 1.0712884e-06 0.32142964 0.6785725 0.4285725 0.9285725 0.78571536 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 7 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.080004130545892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584114e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168228e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.77678661 0.026786613 0.13392947 0.24107233 0.34821518 0.45535804 0.5625009 0.95535804 0.66964376 0.88392947 0.92857233 0.85714376 0.0 0.7500009 0.10714376 0.21428661 0.32142947 0.42857233 0.64285804 0.53571518 0.91964376 0.062500899 0.16964376 0.27678661 0.70535804 0.38392947 0.59821518 0.8125009 0.49107233 0.67857233 0.35714376 0.89285804 0.2500009 0.46428661 0.14285804 0.035715184 0.57142947 0.78571518 0.41964376 0.84821518 0.74107233 0.63392947 0.99107233 0.52678661 0.098215184 0.20535804 0.3125009 0.07142947 0.17857233 0.28571518 0.39285804 0.5000009 0.60714376 0.71428661 0.96428661 0.82142947 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 8 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.77678661 0.026786613 0.13392947 0.24107233 0.34821518 0.45535804 0.5625009 0.95535804 0.66964376 0.88392947 0.92857233 0.85714376 0.0 0.7500009 0.10714376 0.21428661 0.32142947 0.42857233 0.64285804 0.53571518 0.91964376 0.062500899 0.16964376 0.27678661 0.70535804 0.38392947 0.59821518 0.8125009 0.49107233 0.67857233 0.35714376 0.89285804 0.2500009 0.46428661 0.14285804 0.035715184 0.57142947 0.78571518 0.41964376 0.84821518 0.74107233 0.63392947 0.99107233 0.52678661 0.098215184 0.20535804 0.3125009 0.07142947 0.17857233 0.28571518 0.39285804 0.5000009 0.60714376 0.71428661 0.96428661 0.82142947 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 9 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.0800041305459134 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584148e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168295e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.77678668 0.026786677 0.13392953 0.24107239 0.34821525 0.45535811 0.56250096 0.95535811 0.70535811 0.88392953 0.92857239 0.85714382 0.0 0.75000096 0.10714382 0.21428668 0.32142953 0.42857239 0.67857239 0.53571525 0.91964382 0.062500963 0.27678668 0.16964382 0.38392953 0.49107239 0.81250096 0.59821525 0.66964382 0.57142953 0.035715249 0.78571525 0.14285811 0.46428668 0.25000096 0.89285811 0.64285811 0.35714382 0.41964382 0.84821525 0.74107239 0.63392953 0.99107239 0.52678668 0.098215249 0.20535811 0.31250096 0.071429535 0.17857239 0.28571525 0.39285811 0.50000096 0.60714382 0.71428668 0.96428668 0.82142953 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 10 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.77678668 0.026786677 0.13392953 0.24107239 0.34821525 0.45535811 0.56250096 0.95535811 0.70535811 0.88392953 0.92857239 0.85714382 0.0 0.75000096 0.10714382 0.21428668 0.32142953 0.42857239 0.67857239 0.53571525 0.91964382 0.062500963 0.27678668 0.16964382 0.38392953 0.49107239 0.81250096 0.59821525 0.66964382 0.57142953 0.035715249 0.78571525 0.14285811 0.46428668 0.25000096 0.89285811 0.64285811 0.35714382 0.41964382 0.84821525 0.74107239 0.63392953 0.99107239 0.52678668 0.098215249 0.20535811 0.31250096 0.071429535 0.17857239 0.28571525 0.39285811 0.50000096 0.60714382 0.71428668 0.96428668 0.82142953 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 11 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.0800041305458903 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584111e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168222e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.70535704 0.38392847 0.062499899 0.16964276 0.27678561 0.49107133 0.99107133 0.59821418 0.88392847 0.8124999 0.85714276 0.78571418 0.67857133 0.035714184 0.57142847 0.14285704 0.2499999 0.96428561 0.35714275 0.46428561 0.34821418 0.026785613 0.13392847 0.24107133 0.45535704 0.5624999 0.91964276 0.77678561 0.66964275 0.7499999 0.10714276 0.9999999 0.21428561 0.64285704 0.89285704 0.32142847 0.53571418 0.42857133 0.84821418 0.95535704 0.63392847 0.41964275 0.74107133 0.3124999 0.52678561 0.20535704 0.098214184 0.07142847 0.17857133 0.28571418 0.39285704 0.60714275 0.71428561 0.92857133 0.82142847 0.4999999 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 12 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.70535704 0.38392847 0.062499899 0.16964276 0.27678561 0.49107133 0.99107133 0.59821418 0.88392847 0.8124999 0.85714276 0.78571418 0.67857133 0.035714184 0.57142847 0.14285704 0.2499999 0.96428561 0.35714275 0.46428561 0.34821418 0.026785613 0.13392847 0.24107133 0.45535704 0.5624999 0.91964276 0.77678561 0.66964275 0.7499999 0.10714276 0.9999999 0.21428561 0.64285704 0.89285704 0.32142847 0.53571418 0.42857133 0.84821418 0.95535704 0.63392847 0.41964275 0.74107133 0.3124999 0.52678561 0.20535704 0.098214184 0.07142847 0.17857133 0.28571418 0.39285704 0.60714275 0.71428561 0.92857133 0.82142847 0.4999999 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 13 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-10 } "binding-potential-energy-per-atom" { "source-value" -3.0800041305458943 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.934710650584117e-19 } "binding-potential-energy-per-formula" { "source-value" -6.160008261091789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.869421301168234e-19 } "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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.70535702 0.38392845 0.062499876 0.16964273 0.27678559 0.4910713 0.9910713 0.59821416 0.91964273 0.84821416 0.89285702 0.82142845 0.6785713 0.035714161 0.57142845 0.14285702 0.24999988 0.96428559 0.35714273 0.46428559 0.13392845 0.2410713 0.34821416 0.77678559 0.66964273 0.88392845 0.56249988 0.45535702 0.02678559 0.85714273 0.99999988 0.74999987 0.10714273 0.64285702 0.21428559 0.32142845 0.53571416 0.4285713 0.31249988 0.20535702 0.41964273 0.52678559 0.7410713 0.95535702 0.63392845 0.098214162 0.81249987 0.71428559 0.9285713 0.78571416 0.071428447 0.1785713 0.60714273 0.28571416 0.39285702 0.49999988 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 14 "prototype-label" { "source-value" "AB_hP56_156_10a9b9c_10a9b9c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.8226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8226e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 22.862005 0.70535702 0.38392845 0.062499876 0.16964273 0.27678559 0.4910713 0.9910713 0.59821416 0.91964273 0.84821416 0.89285702 0.82142845 0.6785713 0.035714161 0.57142845 0.14285702 0.24999988 0.96428559 0.35714273 0.46428559 0.13392845 0.2410713 0.34821416 0.77678559 0.66964273 0.88392845 0.56249988 0.45535702 0.02678559 0.85714273 0.99999988 0.74999987 0.10714273 0.64285702 0.21428559 0.32142845 0.53571416 0.4285713 0.31249988 0.20535702 0.41964273 0.52678559 0.7410713 0.95535702 0.63392845 0.098214162 0.81249987 0.71428559 0.9285713 0.78571416 0.071428447 0.1785713 0.60714273 0.28571416 0.39285702 0.49999988 ] } } ]