[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oI120_71_lmn6o" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 16.9875 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.69875e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "x2" "z2" "x3" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.5401972 0.54383517 0.58497415 0.086275733 0.95315027 0.41559635 0.79133152 0.92091571 0.84459794 0.92010423 0.25546536 0.91422669 0.87406143 0.33805482 0.81881181 0.84059527 0.12879641 0.95702323 0.74901539 0.28452292 0.86346964 0.71220298 0.07943192 0.9320915 0.66299145 0.15819845 ] } "binding-potential-energy-per-atom" { "source-value" -7.043953405121732 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.128565755667077e-18 } "binding-potential-energy-per-formula" { "source-value" -7.043953405121732 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.128565755667077e-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" "A_oI120_71_lmn6o" } "stoichiometric-species" { "source-value" [ "C" ] } "a" { "source-value" 16.9875 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.69875e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "z1" "x2" "z2" "x3" "y3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.5401972 0.54383517 0.58497415 0.086275733 0.95315027 0.41559635 0.79133152 0.92091571 0.84459794 0.92010423 0.25546536 0.91422669 0.87406143 0.33805482 0.81881181 0.84059527 0.12879641 0.95702323 0.74901539 0.28452292 0.86346964 0.71220298 0.07943192 0.9320915 0.66299145 0.15819845 ] } "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" } } ]