[ { "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" 9.316232 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -6.46439 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -45.25073 "source-unit" "eV" } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1888788 0.22152404 0.4042061 0.55048775 0.21362192 0.13137828 0.73376469 0.39130578 ] } } { "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" 9.316232 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1888788 0.22152404 0.4042061 0.55048775 0.21362192 0.13137828 0.73376469 0.39130578 ] } } ]