[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB2_mC48_12_g3i_2i3j" } "stoichiometric-species" { "source-value" [ "Na" "Sn" ] } "a" { "source-value" 14.1855 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.41855e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.53580769 1.1930774 131.7402 0.75090396 0.84201313 0.11565844 0.64881624 0.61144353 0.21449098 0.58257701 0.22601258 0.099334315 0.43219493 0.098763053 0.80152092 0.79633875 0.24633589 0.087898569 0.20740059 0.24778584 0.074223205 0.70333167 0.41294485 ] } "binding-potential-energy-per-atom" { "source-value" -2.621756058076936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.200516296298814e-19 } "binding-potential-energy-per-formula" { "source-value" -7.865268174230808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.260154888889644e-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" "AB2_mC48_12_g3i_2i3j" } "stoichiometric-species" { "source-value" [ "Na" "Sn" ] } "a" { "source-value" 14.1855 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.41855e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.53580769 1.1930774 131.7402 0.75090396 0.84201313 0.11565844 0.64881624 0.61144353 0.21449098 0.58257701 0.22601258 0.099334315 0.43219493 0.098763053 0.80152092 0.79633875 0.24633589 0.087898569 0.20740059 0.24778584 0.074223205 0.70333167 0.41294485 ] } "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" } } ]