[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB4C2D_oC192_20_ab2c_12c_6c_ab2c" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 5.0664 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0664e-10 } "binding-potential-energy-per-atom" { "source-value" -47.96520024451552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.684872307689386e-18 } "binding-potential-energy-per-formula" { "source-value" -383.7216019561242 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.147897846151508e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "x2" "y3" "y4" "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" ] } "parameter-values" { "source-value" [ 1.4753079 1.0412719 0.068315877 0.47807465 0.30573656 0.48394121 0.46386418 0.8119749 0.98860222 0.87958592 0.0090290514 0.1925785 0.84414391 0.14656234 0.11977939 0.17172007 0.83125741 0.41505195 0.38938256 0.67798975 0.018732217 0.15546384 0.87450761 0.0044600493 0.80825298 0.042745663 0.008765185 0.83416697 0.12616701 0.81334811 0.40460776 0.59610451 0.034962956 0.8567545 0.092457191 0.93014961 0.38610597 0.69224354 0.21583658 0.37395783 0.72612505 0.11515142 0.79706948 0.12710967 0.015126993 0.81004419 0.13415585 0.23292678 0.28275935 0.9191574 0.88075123 0.28069163 0.90223024 0.14553283 0.71501652 0.24886412 0.010498686 0.65433343 0.092608541 0.13244836 0.51702143 0.65424853 0.87267667 0.71148645 0.24805542 0.26699445 0.53873639 0.65295059 0.1307199 0.32653131 0.091517781 0.60991107 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB4C2D_oC192_20_ab2c_12c_6c_ab2c" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 5.0664 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0664e-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" "x1" "x2" "y3" "y4" "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" ] } "parameter-values" { "source-value" [ 1.4753079 1.0412719 0.068315877 0.47807465 0.30573656 0.48394121 0.46386418 0.8119749 0.98860222 0.87958592 0.0090290514 0.1925785 0.84414391 0.14656234 0.11977939 0.17172007 0.83125741 0.41505195 0.38938256 0.67798975 0.018732217 0.15546384 0.87450761 0.0044600493 0.80825298 0.042745663 0.008765185 0.83416697 0.12616701 0.81334811 0.40460776 0.59610451 0.034962956 0.8567545 0.092457191 0.93014961 0.38610597 0.69224354 0.21583658 0.37395783 0.72612505 0.11515142 0.79706948 0.12710967 0.015126993 0.81004419 0.13415585 0.23292678 0.28275935 0.9191574 0.88075123 0.28069163 0.90223024 0.14553283 0.71501652 0.24886412 0.010498686 0.65433343 0.092608541 0.13244836 0.51702143 0.65424853 0.87267667 0.71148645 0.24805542 0.26699445 0.53873639 0.65295059 0.1307199 0.32653131 0.091517781 0.60991107 ] } } ]