[ { "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" 3.3727 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3727e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 15.619148 0.81055708 0.055751024 0.1896753 0.30096454 0.40046368 0.51045342 0.59052122 0.97608018 0.67525219 0.89416649 0.93462141 0.85129697 0.76876707 0.016082371 0.14504194 0.23063658 0.36045196 0.6311114 0.44116343 0.55080088 0.91210941 0.032530301 0.74957224 0.31028371 0.59983224 0.83106565 0.3904698 0.11289506 0.50121042 0.26969482 0.79082566 0.70743846 0.54122379 0.45987999 0.35006019 0.87181394 0.07226762 0.95601134 0.52253656 0.82086149 0.69027284 0.60994848 0.20728339 0.2907034 0.043790302 0.37942206 0.12657002 0.086393286 0.16714581 0.24950682 0.33151443 0.48138672 0.56923439 0.65058649 0.73146242 0.99838874 ] } } { "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" 3.3727 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3727e-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" [ 15.619148 0.81055708 0.055751024 0.1896753 0.30096454 0.40046368 0.51045342 0.59052122 0.97608018 0.67525219 0.89416649 0.93462141 0.85129697 0.76876707 0.016082371 0.14504194 0.23063658 0.36045196 0.6311114 0.44116343 0.55080088 0.91210941 0.032530301 0.74957224 0.31028371 0.59983224 0.83106565 0.3904698 0.11289506 0.50121042 0.26969482 0.79082566 0.70743846 0.54122379 0.45987999 0.35006019 0.87181394 0.07226762 0.95601134 0.52253656 0.82086149 0.69027284 0.60994848 0.20728339 0.2907034 0.043790302 0.37942206 0.12657002 0.086393286 0.16714581 0.24950682 0.33151443 0.48138672 0.56923439 0.65058649 0.73146242 0.99838874 ] } } { "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" 3.3718 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3718e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 17.072721 0.046096731 0.7954002 0.49608183 0.97078901 0.42062951 0.57120827 0.34532326 0.64573686 0.22907548 0.71999259 0.38285188 0.30825017 0.93222214 0.19145622 0.45934005 0.0087604527 0.53364838 0.68289361 0.60739614 0.75754771 0.28123947 0.17389823 0.098812879 0.58055872 0.65605765 0.78476427 0.85909395 0.43062284 0.025934012 0.24323237 0.13606858 0.51279285 0.06199496 0.61831864 0.73959465 0.82197285 0.39375445 0.98803681 0.66589634 0.59077754 0.48335226 0.80498762 0.29432143 0.11382728 0.036071408 0.40967805 0.91430653 0.95326119 0.62946558 0.36494938 0.44607619 0.2574809 0.87658787 0.076204239 0.76829453 0.5530709 ] } } { "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" 3.3718 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3718e-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" [ 17.072721 0.046096731 0.7954002 0.49608183 0.97078901 0.42062951 0.57120827 0.34532326 0.64573686 0.22907548 0.71999259 0.38285188 0.30825017 0.93222214 0.19145622 0.45934005 0.0087604527 0.53364838 0.68289361 0.60739614 0.75754771 0.28123947 0.17389823 0.098812879 0.58055872 0.65605765 0.78476427 0.85909395 0.43062284 0.025934012 0.24323237 0.13606858 0.51279285 0.06199496 0.61831864 0.73959465 0.82197285 0.39375445 0.98803681 0.66589634 0.59077754 0.48335226 0.80498762 0.29432143 0.11382728 0.036071408 0.40967805 0.91430653 0.95326119 0.62946558 0.36494938 0.44607619 0.2574809 0.87658787 0.076204239 0.76829453 0.5530709 ] } } { "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" 3.4019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4019e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 13.44822 0.10043817 0.75417839 0.47268335 0.5667509 0.65910642 0.84836798 0.37710158 0.94300555 0.2858762 0.19341837 0.23867873 0.14710591 0.99494674 0.42395881 0.89560848 0.51839564 0.6122838 0.33198456 0.70684428 0.80127411 0.67469004 0.18488048 0.48724439 0.95499473 0.36476173 0.089830302 0.86097209 0.76716329 0.5802998 0.041890272 0.81524974 0.72168921 0.62856152 0.90918096 0.53364414 0.44155092 0.13554211 0.31166578 0.49657428 0.1141047 0.020470211 0.20880732 0.92920589 0.83554102 0.35304601 0.59237822 0.74131569 0.16291439 0.26206467 0.06777379 0.40024429 0.97453015 0.54628092 0.69098715 0.88124011 0.78721138 ] } } { "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" 3.4019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4019e-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" [ 13.44822 0.10043817 0.75417839 0.47268335 0.5667509 0.65910642 0.84836798 0.37710158 0.94300555 0.2858762 0.19341837 0.23867873 0.14710591 0.99494674 0.42395881 0.89560848 0.51839564 0.6122838 0.33198456 0.70684428 0.80127411 0.67469004 0.18488048 0.48724439 0.95499473 0.36476173 0.089830302 0.86097209 0.76716329 0.5802998 0.041890272 0.81524974 0.72168921 0.62856152 0.90918096 0.53364414 0.44155092 0.13554211 0.31166578 0.49657428 0.1141047 0.020470211 0.20880732 0.92920589 0.83554102 0.35304601 0.59237822 0.74131569 0.16291439 0.26206467 0.06777379 0.40024429 0.97453015 0.54628092 0.69098715 0.88124011 0.78721138 ] } } { "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" 3.3976 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3976e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 14.980751 0.56322839 0.31376932 0.10108611 0.23017628 0.015380091 0.87355116 0.39727866 0.78870734 0.47995037 0.7046501 0.83105618 0.74600293 0.96855714 0.1848677 0.66206786 0.35666439 0.059391393 0.52126185 0.43902161 0.27199003 0.57312651 0.15575364 0.24194557 0.027716804 0.94558093 0.37576194 0.86128392 0.46500127 0.69648474 0.53164154 0.81091321 0.90302026 0.4182991 0.65059798 0.33034698 0.98685484 0.19905455 0.11322582 0.25314521 0.0038610016 0.88325804 0.71829043 0.63418707 0.55074078 0.38701072 0.17029102 0.086549611 0.2123773 0.34355303 0.92632368 0.12923991 0.84200822 0.044777378 0.49948724 0.6772569 0.59243652 ] } } { "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" 3.3976 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.3976e-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" [ 14.980751 0.56322839 0.31376932 0.10108611 0.23017628 0.015380091 0.87355116 0.39727866 0.78870734 0.47995037 0.7046501 0.83105618 0.74600293 0.96855714 0.1848677 0.66206786 0.35666439 0.059391393 0.52126185 0.43902161 0.27199003 0.57312651 0.15575364 0.24194557 0.027716804 0.94558093 0.37576194 0.86128392 0.46500127 0.69648474 0.53164154 0.81091321 0.90302026 0.4182991 0.65059798 0.33034698 0.98685484 0.19905455 0.11322582 0.25314521 0.0038610016 0.88325804 0.71829043 0.63418707 0.55074078 0.38701072 0.17029102 0.086549611 0.2123773 0.34355303 0.92632368 0.12923991 0.84200822 0.044777378 0.49948724 0.6772569 0.59243652 ] } } { "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" 3.4058 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4058e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 13.382495 0.91063915 0.19747396 0.29007276 0.38418319 0.47851678 0.57289196 0.66749338 0.10385512 0.81701772 0.0068318493 0.053560937 0.95902107 0.15164649 0.86371143 0.24449237 0.33831078 0.43260714 0.52696753 0.71805566 0.62143349 0.1216226 0.26416515 0.35876508 0.45313917 0.82972743 0.54747683 0.73443998 0.028895614 0.64162296 0.78085251 0.49904951 0.075783271 0.40468927 0.59335587 0.31022818 0.21363045 0.68725438 0.98217778 0.56019699 0.018162404 0.84231001 0.74987339 0.18131903 0.6546186 0.27698601 0.37145061 0.46582641 0.22941036 0.32423126 0.41863998 0.51301099 0.60739984 0.7020682 0.79675999 0.1339703 0.93420268 ] } } { "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" 3.4058 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4058e-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" [ 13.382495 0.91063915 0.19747396 0.29007276 0.38418319 0.47851678 0.57289196 0.66749338 0.10385512 0.81701772 0.0068318493 0.053560937 0.95902107 0.15164649 0.86371143 0.24449237 0.33831078 0.43260714 0.52696753 0.71805566 0.62143349 0.1216226 0.26416515 0.35876508 0.45313917 0.82972743 0.54747683 0.73443998 0.028895614 0.64162296 0.78085251 0.49904951 0.075783271 0.40468927 0.59335587 0.31022818 0.21363045 0.68725438 0.98217778 0.56019699 0.018162404 0.84231001 0.74987339 0.18131903 0.6546186 0.27698601 0.37145061 0.46582641 0.22941036 0.32423126 0.41863998 0.51301099 0.60739984 0.7020682 0.79675999 0.1339703 0.93420268 ] } } { "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" 3.409 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.409e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 13.8357 0.69047659 0.96355367 0.055015834 0.20004469 0.28917254 0.38113043 0.47239406 0.87235682 0.59411306 0.78205174 0.82702961 0.73496391 0.91795208 0.63931634 0.009204991 0.15359436 0.24392281 0.33530966 0.54784376 0.42673956 0.8059846 0.97519441 0.21167877 0.065854415 0.30395387 0.39356902 0.71487461 0.48374139 0.60537184 0.43987765 0.93049698 0.66999018 0.02177697 0.3495342 0.1123635 0.76173332 0.52908422 0.25905461 0.36883037 0.79474156 0.70375311 0.61483427 0.95080989 0.46138817 0.042272367 0.13304532 0.22403592 0.99524666 0.087182532 0.17897776 0.31983499 0.41347139 0.56987686 0.65911803 0.89621601 0.74914755 ] } } { "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" 3.409 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.409e-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" [ 13.8357 0.69047659 0.96355367 0.055015834 0.20004469 0.28917254 0.38113043 0.47239406 0.87235682 0.59411306 0.78205174 0.82702961 0.73496391 0.91795208 0.63931634 0.009204991 0.15359436 0.24392281 0.33530966 0.54784376 0.42673956 0.8059846 0.97519441 0.21167877 0.065854415 0.30395387 0.39356902 0.71487461 0.48374139 0.60537184 0.43987765 0.93049698 0.66999018 0.02177697 0.3495342 0.1123635 0.76173332 0.52908422 0.25905461 0.36883037 0.79474156 0.70375311 0.61483427 0.95080989 0.46138817 0.042272367 0.13304532 0.22403592 0.99524666 0.087182532 0.17897776 0.31983499 0.41347139 0.56987686 0.65911803 0.89621601 0.74914755 ] } } { "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" 3.4058 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4058e-10 } "binding-potential-energy-per-atom" { "source-value" -10.632359803790774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.70349184419144e-18 } "binding-potential-energy-per-formula" { "source-value" -21.264719607581547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.40698368838288e-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" "z53" "z54" "z55" "z56" ] } "parameter-values" { "source-value" [ 14.083974 0.70778241 0.36966189 0.067262002 0.15835823 0.28087605 0.45693192 0.97984017 0.54661385 0.891379 0.79705143 0.84297216 0.75225738 0.65959393 0.022778935 0.50165748 0.112883 0.23604733 0.93616439 0.32663918 0.4130648 0.34780214 0.08158757 0.16919047 0.25852871 0.44379094 0.53425541 0.99049378 0.72005375 0.62822413 0.67444961 0.12622591 0.037393235 0.21383241 0.57918516 0.9232048 0.30174603 0.4875968 0.39268516 0.90806902 0.0023330214 0.64424041 0.46770948 0.73192128 0.35996186 0.55662824 0.26906193 0.14613696 0.097469052 0.19119936 0.31449153 0.42356929 0.60087281 0.68875926 0.9573106 0.86380515 0.513469 ] } } { "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" 3.4058 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4058e-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" [ 14.083974 0.70778241 0.36966189 0.067262002 0.15835823 0.28087605 0.45693192 0.97984017 0.54661385 0.891379 0.79705143 0.84297216 0.75225738 0.65959393 0.022778935 0.50165748 0.112883 0.23604733 0.93616439 0.32663918 0.4130648 0.34780214 0.08158757 0.16919047 0.25852871 0.44379094 0.53425541 0.99049378 0.72005375 0.62822413 0.67444961 0.12622591 0.037393235 0.21383241 0.57918516 0.9232048 0.30174603 0.4875968 0.39268516 0.90806902 0.0023330214 0.64424041 0.46770948 0.73192128 0.35996186 0.55662824 0.26906193 0.14613696 0.097469052 0.19119936 0.31449153 0.42356929 0.60087281 0.68875926 0.9573106 0.86380515 0.513469 ] } } ]