[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A4B3C_oC16_38_abc_ac_b" } "stoichiometric-species" { "source-value" [ "Cl" "Cs" "Li" ] } "a" { "source-value" 10.188 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0188e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "z3" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.40747939 1.221329 0.82140413 0.091148039 0.92681487 0.5478133 0.73101264 0.60474596 0.2676603 0.32512387 ] } "binding-potential-energy-per-atom" { "source-value" -2.9148285533080074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.670070200226113e-19 } "binding-potential-energy-per-formula" { "source-value" -23.31862842646406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.73605616018089e-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" "A4B3C_oC16_38_abc_ac_b" } "stoichiometric-species" { "source-value" [ "Cl" "Cs" "Li" ] } "a" { "source-value" 10.188 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0188e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "z3" "z4" "x5" "z5" "x6" "z6" ] } "parameter-values" { "source-value" [ 0.40747939 1.221329 0.82140413 0.091148039 0.92681487 0.5478133 0.73101264 0.60474596 0.2676603 0.32512387 ] } "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" } } ]