[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_mP32_13_8g" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 8.2546 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.254600000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 1.6223439 1.5036586 138.9641 0.16316522 0.63908934 0.72771258 0.074069448 0.4147312 0.61142186 0.60921029 0.53086355 0.44042092 0.70236741 0.30424392 0.58570861 0.81268553 0.19620907 0.88344808 0.89087537 0.96904858 0.82519821 0.42908673 0.1021113 0.53205585 0.3290204 0.88570417 0.5686368 ] } "binding-potential-energy-per-atom" { "source-value" -0.2955214202162136 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.734775143169126e-20 } "binding-potential-energy-per-formula" { "source-value" -0.2955214202162136 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.734775143169126e-20 } "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_mP32_13_8g" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 8.2546 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.254600000000001e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 1.6223439 1.5036586 138.9641 0.16316522 0.63908934 0.72771258 0.074069448 0.4147312 0.61142186 0.60921029 0.53086355 0.44042092 0.70236741 0.30424392 0.58570861 0.81268553 0.19620907 0.88344808 0.89087537 0.96904858 0.82519821 0.42908673 0.1021113 0.53205585 0.3290204 0.88570417 0.5686368 ] } "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" } } ]