[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB6C_mP32_4_2a_12a_2a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 3.8315 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8315e-10 } "binding-potential-energy-per-atom" { "source-value" -38.86369389471642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.22665022690431e-18 } "binding-potential-energy-per-formula" { "source-value" -310.90955115773136 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.981320181523448e-17 } "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" ] } "parameter-values" { "source-value" [ 0.41678194 1.0310322 73.7902 0.080124474 0.24888396 0.79062955 0.31601174 0.9461504 0.028680335 0.72031971 0.20852798 0.69338974 0.56126814 0.46767055 0.42054004 0.4300413 0.28201581 0.49882513 0.37635806 0.46028777 0.38733128 0.71614588 0.2467101 0.54151565 0.41659441 0.65584932 0.50430826 0.30365851 0.054789151 0.5383334 0.28340296 0.43540324 0.54621215 0.85533356 0.22214592 0.42851117 0.38281485 0.44482576 0.22628661 0.71649696 0.24898734 0.37479601 0.33739555 0.95364831 0.72786584 0.48345155 0.45872528 0.71131572 0.13706371 0.21831483 0.40094552 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB6C_mP32_4_2a_12a_2a" } "stoichiometric-species" { "source-value" [ "B" "H" "N" ] } "a" { "source-value" 3.8315 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.8315e-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" "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" ] } "parameter-values" { "source-value" [ 0.41678194 1.0310322 73.7902 0.080124474 0.24888396 0.79062955 0.31601174 0.9461504 0.028680335 0.72031971 0.20852798 0.69338974 0.56126814 0.46767055 0.42054004 0.4300413 0.28201581 0.49882513 0.37635806 0.46028777 0.38733128 0.71614588 0.2467101 0.54151565 0.41659441 0.65584932 0.50430826 0.30365851 0.054789151 0.5383334 0.28340296 0.43540324 0.54621215 0.85533356 0.22214592 0.42851117 0.38281485 0.44482576 0.22628661 0.71649696 0.24898734 0.37479601 0.33739555 0.95364831 0.72786584 0.48345155 0.45872528 0.71131572 0.13706371 0.21831483 0.40094552 ] } } ]