[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP36_4_12a_6a" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 8.281 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -4.92867 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -14.786010000000001 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "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" ] } "parameter-values" { "source-value" [ 0.47999034 0.9874049 90.7219 0.65964688 0.85855093 0.70089359 0.034048297 0.7157331 0.52721917 0.16374702 0.99068821 0.59286539 0.28964416 0.10915905 0.84323055 0.15950604 0.39145635 0.7995141 0.47566558 0.94059318 0.46921537 0.59436897 0.016119999 0.32667474 0.46975746 0.6888743 0.97459302 0.33205411 0.76601802 0.097125709 0.093298241 0.22883835 0.17689682 0.97517857 0.30208792 0.031063595 0.78598498 0.14593376 0.65632054 0.74780904 0.00066428719 0.74728451 0.0027420961 0.12509502 0.11323348 0.38945457 0.86705132 0.0022982133 0.50423228 0.11954078 0.38886014 0.24719167 0.25149918 0.75238995 0.11092453 0.89495249 0.49295516 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mP36_4_12a_6a" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 8.281 "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" [ "b/a" "c/a" "beta" "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" ] } "parameter-values" { "source-value" [ 0.47999034 0.9874049 90.7219 0.65964688 0.85855093 0.70089359 0.034048297 0.7157331 0.52721917 0.16374702 0.99068821 0.59286539 0.28964416 0.10915905 0.84323055 0.15950604 0.39145635 0.7995141 0.47566558 0.94059318 0.46921537 0.59436897 0.016119999 0.32667474 0.46975746 0.6888743 0.97459302 0.33205411 0.76601802 0.097125709 0.093298241 0.22883835 0.17689682 0.97517857 0.30208792 0.031063595 0.78598498 0.14593376 0.65632054 0.74780904 0.00066428719 0.74728451 0.0027420961 0.12509502 0.11323348 0.38945457 0.86705132 0.0022982133 0.50423228 0.11954078 0.38886014 0.24719167 0.25149918 0.75238995 0.11092453 0.89495249 0.49295516 ] } } ]