[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 2.4596 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.4596e-10 } "binding-potential-energy-per-atom" { "source-value" -2.436295655678752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.903375973044206e-19 } "binding-potential-energy-per-formula" { "source-value" -2.436295655678752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.903375973044206e-19 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 14.858554 14.063628 0.49848343 0.71771921 0.74973899 0.87915027 0.84274232 0.82419029 0.074648309 0.75074824 0.65918196 0.86297744 0.40727657 0.67291553 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 2.4596 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.4596e-10 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 14.858554 14.063628 0.49848343 0.71771921 0.74973899 0.87915027 0.84274232 0.82419029 0.074648309 0.75074824 0.65918196 0.86297744 0.40727657 0.67291553 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 25.7505 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.57505e-09 } "binding-potential-energy-per-atom" { "source-value" -2.8073243493174065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.497829476535602e-19 } "binding-potential-energy-per-formula" { "source-value" -2.8073243493174065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.497829476535602e-19 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.39321567 0.46650745 0.94492432 0.38861866 0.78499235 0.073483419 0.95894334 0.1902279 0.99855171 0.54543025 0.74032803 0.62948572 0.96759996 0.82819358 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 25.7505 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.57505e-09 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.39321567 0.46650745 0.94492432 0.38861866 0.78499235 0.073483419 0.95894334 0.1902279 0.99855171 0.54543025 0.74032803 0.62948572 0.96759996 0.82819358 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 5 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 25.2842 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.52842e-09 } "binding-potential-energy-per-atom" { "source-value" -2.8072373375336195 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.497690068288736e-19 } "binding-potential-energy-per-formula" { "source-value" -2.8072373375336195 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.497690068288736e-19 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.39933239 0.48699583 0.80632078 0.88928901 0.46317604 0.67588054 0.46083354 0.055495193 0.75194261 0.04627992 0.50580345 0.11921768 0.46832666 0.42019055 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 6 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 25.2842 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.52842e-09 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.39933239 0.48699583 0.80632078 0.88928901 0.46317604 0.67588054 0.46083354 0.055495193 0.75194261 0.04627992 0.50580345 0.11921768 0.46832666 0.42019055 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 7 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 2.5594 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.5594e-10 } "binding-potential-energy-per-atom" { "source-value" -2.129561539939747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.41193373995652e-19 } "binding-potential-energy-per-formula" { "source-value" -2.129561539939747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.41193373995652e-19 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 17.996484 8.9521763 0.43089856 0.85402645 0.83315907 0.98495895 0.74438861 0.79750754 0.44259593 0.68502261 0.70725873 0.81707252 0.57359987 0.80533734 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 8 "prototype-label" { "source-value" "A_oF128_70_4h" } "stoichiometric-species" { "source-value" [ "S" ] } "a" { "source-value" 2.5594 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.5594e-10 } "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 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 17.996484 8.9521763 0.43089856 0.85402645 0.83315907 0.98495895 0.74438861 0.79750754 0.44259593 0.68502261 0.70725873 0.81707252 0.57359987 0.80533734 ] } } ]