[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A4B19_aP46_1_8a_38a" } "stoichiometric-species" { "source-value" [ "Al" "Si" ] } "a" { "source-value" 9.9969 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.9969e-10 } "binding-potential-energy-per-atom" { "source-value" -3.8504748995618505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.169140913881494e-19 } "binding-potential-energy-per-formula" { "source-value" -88.56092268992256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.418902410192743e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" "x25" "y25" "z25" "x26" "y26" "z26" "x27" "y27" "z27" "x28" "y28" "z28" "x29" "y29" "z29" "x30" "y30" "z30" "x31" "y31" "z31" "x32" "y32" "z32" "x33" "y33" "z33" "x34" "y34" "z34" "x35" "y35" "z35" "x36" "y36" "z36" "x37" "y37" "z37" "x38" "y38" "z38" "x39" "y39" "z39" "x40" "y40" "z40" "x41" "y41" "z41" "x42" "y42" "z42" "x43" "y43" "z43" "x44" "y44" "z44" "x45" "y45" "z45" "x46" "y46" "z46" ] } "parameter-values" { "source-value" [ 1.0922786 0.98449519 90.7094 91.7853 81.472 0.1700396 0.49467945 0.91993388 0.99966455 0.025554366 0.37105765 0.67816515 0.94104597 0.071830386 0.89479489 0.62081979 0.8588833 0.60223588 0.65476846 0.80397091 0.50969405 0.076141728 0.47821242 0.94774141 0.78819524 0.47335653 0.57342369 0.95885644 0.77469748 0.65519523 0.61192042 0.26722962 0.68563232 0.40662416 0.7150584 0.20724268 0.87002155 0.8023345 0.85561806 0.25919322 0.83696808 0.74466775 0.69768962 0.069233047 0.15704035 0.18502907 0.28349655 0.69718947 0.47530081 0.99028508 0.48200046 0.95308306 0.24346464 0.045561526 0.28378338 0.508536 0.26460673 0.66098875 0.29567809 0.3607299 0.29589105 0.34010702 0.64867382 0.25436314 0.35314189 0.33095326 0.70632262 0.66644573 0.89135432 0.88469164 0.82155658 0.22847394 0.21385142 0.87635986 0.12185224 0.82267623 0.16961038 0.80595655 0.13363898 0.17114945 0.35928644 0.33846467 0.74535754 0.77482253 0.72854764 0.63778167 0.23666707 0.40032066 0.53536329 0.09510032 0.73666861 0.94356305 0.86965519 0.85964938 0.23163311 0.88263185 0.31732514 0.075247361 0.13415467 0.31958459 0.090634561 0.73871372 0.097821623 0.89809962 0.35055983 0.0064301919 0.92333906 0.24946015 0.99375532 0.14487371 0.033365133 0.96416625 0.64108376 0.051722058 0.17276001 0.71917575 0.16326587 0.62104548 0.51400705 0.57269147 0.42475722 0.19375778 0.32252245 0.46342072 0.1666444 0.40200884 0.54152114 0.84678753 0.46664095 0.75019722 0.34449365 0.50595595 0.8214718 0.57236726 0.58290543 0.21349868 0.69309345 0.84579918 0.57880048 0.42823442 0.80356311 0.37466261 0.49186451 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A4B19_aP46_1_8a_38a" } "stoichiometric-species" { "source-value" [ "Al" "Si" ] } "a" { "source-value" 9.9969 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.9969e-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" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" "x13" "y13" "z13" "x14" "y14" "z14" "x15" "y15" "z15" "x16" "y16" "z16" "x17" "y17" "z17" "x18" "y18" "z18" "x19" "y19" "z19" "x20" "y20" "z20" "x21" "y21" "z21" "x22" "y22" "z22" "x23" "y23" "z23" "x24" "y24" "z24" "x25" "y25" "z25" "x26" "y26" "z26" "x27" "y27" "z27" "x28" "y28" "z28" "x29" "y29" "z29" "x30" "y30" "z30" "x31" "y31" "z31" "x32" "y32" "z32" "x33" "y33" "z33" "x34" "y34" "z34" "x35" "y35" "z35" "x36" "y36" "z36" "x37" "y37" "z37" "x38" "y38" "z38" "x39" "y39" "z39" "x40" "y40" "z40" "x41" "y41" "z41" "x42" "y42" "z42" "x43" "y43" "z43" "x44" "y44" "z44" "x45" "y45" "z45" "x46" "y46" "z46" ] } "parameter-values" { "source-value" [ 1.0922786 0.98449519 90.7094 91.7853 81.472 0.1700396 0.49467945 0.91993388 0.99966455 0.025554366 0.37105765 0.67816515 0.94104597 0.071830386 0.89479489 0.62081979 0.8588833 0.60223588 0.65476846 0.80397091 0.50969405 0.076141728 0.47821242 0.94774141 0.78819524 0.47335653 0.57342369 0.95885644 0.77469748 0.65519523 0.61192042 0.26722962 0.68563232 0.40662416 0.7150584 0.20724268 0.87002155 0.8023345 0.85561806 0.25919322 0.83696808 0.74466775 0.69768962 0.069233047 0.15704035 0.18502907 0.28349655 0.69718947 0.47530081 0.99028508 0.48200046 0.95308306 0.24346464 0.045561526 0.28378338 0.508536 0.26460673 0.66098875 0.29567809 0.3607299 0.29589105 0.34010702 0.64867382 0.25436314 0.35314189 0.33095326 0.70632262 0.66644573 0.89135432 0.88469164 0.82155658 0.22847394 0.21385142 0.87635986 0.12185224 0.82267623 0.16961038 0.80595655 0.13363898 0.17114945 0.35928644 0.33846467 0.74535754 0.77482253 0.72854764 0.63778167 0.23666707 0.40032066 0.53536329 0.09510032 0.73666861 0.94356305 0.86965519 0.85964938 0.23163311 0.88263185 0.31732514 0.075247361 0.13415467 0.31958459 0.090634561 0.73871372 0.097821623 0.89809962 0.35055983 0.0064301919 0.92333906 0.24946015 0.99375532 0.14487371 0.033365133 0.96416625 0.64108376 0.051722058 0.17276001 0.71917575 0.16326587 0.62104548 0.51400705 0.57269147 0.42475722 0.19375778 0.32252245 0.46342072 0.1666444 0.40200884 0.54152114 0.84678753 0.46664095 0.75019722 0.34449365 0.50595595 0.8214718 0.57236726 0.58290543 0.21349868 0.69309345 0.84579918 0.57880048 0.42823442 0.80356311 0.37466261 0.49186451 ] } } ]