[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A19B4_cP138_200_efh2j2k2l_jk" } "stoichiometric-species" { "source-value" [ "Al" "Mn" ] } "a" { "source-value" 12.6603 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26603e-09 } "parameter-names" { "source-value" [ "x1" "x2" "x3" "y4" "z4" "y5" "z5" "y6" "z6" "y7" "z7" "y8" "z8" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.64061226 0.69735056 0.87691414 0.82840864 0.89090705 0.67730151 0.5989804 0.66691985 0.79705097 0.6734246 0.60716663 0.87545927 0.89060248 0.82822441 0.70496806 0.88247417 0.81731761 0.29867614 0.61405774 0.6854319 0.1946413 ] } "binding-potential-energy-per-atom" { "source-value" -4.75108939025972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.612084407119431e-19 } "binding-potential-energy-per-formula" { "source-value" -109.27505597597356 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.750779413637469e-17 } "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" "A19B4_cP138_200_efh2j2k2l_jk" } "stoichiometric-species" { "source-value" [ "Al" "Mn" ] } "a" { "source-value" 12.6603 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26603e-09 } "parameter-names" { "source-value" [ "x1" "x2" "x3" "y4" "z4" "y5" "z5" "y6" "z6" "y7" "z7" "y8" "z8" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.64061226 0.69735056 0.87691414 0.82840864 0.89090705 0.67730151 0.5989804 0.66691985 0.79705097 0.6734246 0.60716663 0.87545927 0.89060248 0.82822441 0.70496806 0.88247417 0.81731761 0.29867614 0.61405774 0.6854319 0.1946413 ] } "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" } } ]