[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hR16_160_8a_8a" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0825099 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0825099e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "x6" "x7" "x8" "x9" "x10" "x11" "x12" "x13" "x14" "x15" "x16" ] } "parameter-values" { "source-value" [ 19.595948 0.0311875 0.1561875 0.2811875 0.44785417 0.5311875 0.6561875 0.73952083 0.9061875 0.9999375 0.1249375 0.2499375 0.41660417 0.4999375 0.6249375 0.70827083 0.8749375 ] } "binding-potential-energy-per-atom" { "source-value" -6.339174030312104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.015647651022566e-18 } "binding-potential-energy-per-formula" { "source-value" -12.678348060624208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.031295302045132e-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" "AB_hR16_160_8a_8a" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 3.0825099 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.0825099e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "x6" "x7" "x8" "x9" "x10" "x11" "x12" "x13" "x14" "x15" "x16" ] } "parameter-values" { "source-value" [ 19.595948 0.0311875 0.1561875 0.2811875 0.44785417 0.5311875 0.6561875 0.73952083 0.9061875 0.9999375 0.1249375 0.2499375 0.41660417 0.4999375 0.6249375 0.70827083 0.8749375 ] } "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" } } ]