[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP52_156_9a9b8c_9a9b8c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.7975 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -3.25431 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -6.50862 "source-unit" "eV" } "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" [ 21.251903 0.028835443 0.1442233 0.25963258 0.95189266 0.3749907 0.8365298 0.75958658 0.52881558 0.60575735 0.23077395 0.3461563 0.11539961 0.50000398 1.1072574e-05 0.57693056 0.73076864 0.80770887 0.92308404 0.64419963 0.72114328 0.49037287 0.10576038 0.8749913 0.41343287 0.99039798 0.29806902 0.22112383 0.96155298 0.3846178 0.46155187 0.84615665 0.61539267 0.69231242 0.19230805 0.076931316 0.26924565 0.79809473 0.067298222 0.18268497 0.33652954 0.45193867 0.56732212 0.68270755 0.9134545 0.65385822 0.53846793 0.76924418 0.038466285 0.42308984 0.88461924 0.15385734 0.30770509 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB_hP52_156_9a9b8c_9a9b8c" } "stoichiometric-species" { "source-value" [ "S" "Zn" ] } "a" { "source-value" 3.7975 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "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" [ 21.251903 0.028835443 0.1442233 0.25963258 0.95189266 0.3749907 0.8365298 0.75958658 0.52881558 0.60575735 0.23077395 0.3461563 0.11539961 0.50000398 1.1072574e-05 0.57693056 0.73076864 0.80770887 0.92308404 0.64419963 0.72114328 0.49037287 0.10576038 0.8749913 0.41343287 0.99039798 0.29806902 0.22112383 0.96155298 0.3846178 0.46155187 0.84615665 0.61539267 0.69231242 0.19230805 0.076931316 0.26924565 0.79809473 0.067298222 0.18268497 0.33652954 0.45193867 0.56732212 0.68270755 0.9134545 0.65385822 0.53846793 0.76924418 0.038466285 0.42308984 0.88461924 0.15385734 0.30770509 ] } } ]