[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 1 "prototype-label" { "source-value" "AB_hP16_186_a3b_a3b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.02613548165514 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.02613548165514e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" ] } "parameter-values" { "source-value" [ 6.531972706625403 0.09387673134837415 0.00012673236989835246 0.8438767404403076 0.21887673508849614 0.46887674476771846 0.1251267415370967 0.7501267406741448 0.3751267428190639 ] } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_788477908064_000" ] ] } "coordinates-file" { "source-value" "instance-1.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 2 "prototype-label" { "source-value" "AB_hP16_186_a3b_a3b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.02613548165514 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.02613548165514e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" ] } "parameter-values" { "source-value" [ 6.531972706625403 0.09387673134837415 0.00012673236989835246 0.8438767404403076 0.21887673508849614 0.46887674476771846 0.1251267415370967 0.7501267406741448 0.3751267428190639 ] } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_788477908064_000" ] ] } "coordinates-file" { "source-value" "instance-2.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-2.poscar" } "binding-potential-energy-per-atom" { "source-value" -6.4338651632221335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.03081884308211e-18 } "binding-potential-energy-per-formula" { "source-value" -12.867730326444267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.06163768616422e-18 } } { "property-id" "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" "instance-id" 3 "prototype-label" { "source-value" "AB_hP16_186_a3b_a3b" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.02613548165514 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.02613548165514e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "z2" "z3" "z4" "z5" "z6" "z7" "z8" ] } "parameter-values" { "source-value" [ 6.531972706625403 0.09387673134837415 0.00012673236989835246 0.8438767404403076 0.21887673508849614 0.46887674476771846 0.1251267415370967 0.7501267406741448 0.3751267428190639 ] } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_788477908064_000" ] ] } "coordinates-file" { "source-value" "instance-3.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-3.poscar" } "mass-density" { "source-value" 2.0462134738744284 "source-unit" "amu/angstrom^3" "si-unit" "kg / m^3" "si-value" 3397.817411971786 } } ]