[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B9C3D3_oP68_33_2a_9a_3a_3a" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 4.9785 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.978500000000001e-10 } "binding-potential-energy-per-atom" { "source-value" -44.52687247875493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.133991467055882e-18 } "binding-potential-energy-per-formula" { "source-value" -756.9568321388339 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.2127785493995e-16 } "parameter-names" { "source-value" [ "b/a" "c/a" "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" ] } "parameter-values" { "source-value" [ 0.51551672 1.0239831 0.25438908 0.85158491 0.21261633 0.48543744 0.53231857 0.2176969 0.21591345 0.89572749 0.41313643 0.64882906 0.13200645 0.54337754 0.37285012 0.18645879 0.25813192 0.11648864 0.26188453 0.28204745 0.42285029 0.98417556 0.31189815 0.48446567 0.18840839 0.31834856 0.23974539 0.24724896 0.2745603 0.18655721 0.44683605 0.23647286 0.29038641 0.46479523 0.29822083 0.018107791 0.46700016 0.13445833 0.32327066 0.2102263 0.44713331 0.10502588 0.58106046 0.39376467 0.066859969 0.096965604 0.4565953 0.87372673 0.79845594 0.4350597 0.28469319 0.31824344 0.10055779 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B9C3D3_oP68_33_2a_9a_3a_3a" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 4.9785 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.978500000000001e-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" "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" ] } "parameter-values" { "source-value" [ 0.51551672 1.0239831 0.25438908 0.85158491 0.21261633 0.48543744 0.53231857 0.2176969 0.21591345 0.89572749 0.41313643 0.64882906 0.13200645 0.54337754 0.37285012 0.18645879 0.25813192 0.11648864 0.26188453 0.28204745 0.42285029 0.98417556 0.31189815 0.48446567 0.18840839 0.31834856 0.23974539 0.24724896 0.2745603 0.18655721 0.44683605 0.23647286 0.29038641 0.46479523 0.29822083 0.018107791 0.46700016 0.13445833 0.32327066 0.2102263 0.44713331 0.10502588 0.58106046 0.39376467 0.066859969 0.096965604 0.4565953 0.87372673 0.79845594 0.4350597 0.28469319 0.31824344 0.10055779 ] } } ]