[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oI120_71_lmn6o" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 16.9801 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.69801e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "x2" "z2" "x3" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.53298273 0.53718765 0.59427121 0.090076423 0.95164222 0.40746085 0.79560331 0.92133908 0.8478204 0.91953632 0.25348218 0.91482569 0.87089704 0.33937889 0.82184629 0.84019349 0.12902337 0.95746117 0.74801623 0.28307288 0.86325266 0.70791151 0.080104095 0.93130334 0.66185538 0.15898774 ] } "binding-potential-energy-per-atom" { "source-value" -6.65030552649547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.065496412351211e-18 } "binding-potential-energy-per-formula" { "source-value" -6.65030552649547 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.065496412351211e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A_oI120_71_lmn6o" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 16.9801 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.69801e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "x2" "z2" "x3" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.53298273 0.53718765 0.59427121 0.090076423 0.95164222 0.40746085 0.79560331 0.92133908 0.8478204 0.91953632 0.25348218 0.91482569 0.87089704 0.33937889 0.82184629 0.84019349 0.12902337 0.95746117 0.74801623 0.28307288 0.86325266 0.70791151 0.080104095 0.93130334 0.66185538 0.15898774 ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]