[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B4_hR14_148_f_cf" } "stoichiometric-species" { "source-value" [ "Mo" "S" ] } "a" { "source-value" 9.0068337 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.0068337e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1995952 0.22270638 0.18658956 0.41401752 0.55632061 0.34323326 0.14022535 0.77208404 ] } "binding-potential-energy-per-atom" { "source-value" -4.941839556333306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.91769986613415e-19 } "binding-potential-energy-per-formula" { "source-value" -34.592876894333145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.542389906293905e-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" "A3B4_hR14_148_f_cf" } "stoichiometric-species" { "source-value" [ "Mo" "S" ] } "a" { "source-value" 9.0068337 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.0068337e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1995952 0.22270638 0.18658956 0.41401752 0.55632061 0.34323326 0.14022535 0.77208404 ] } "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" } } ]