[
    {
        "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/elastic-constants-isothermal-npt" 
        "instance-id" 1 
        "prototype-label" {
            "source-value" "A2B_cF12_225_c_a"
        } 
        "stoichiometric-species" {
            "source-value" [
                "Li" 
                "S"
            ]
        } 
        "a" {
            "source-value" 5.7522 
            "source-unit" "angstrom" 
            "si-unit" "m" 
            "si-value" 5.7522e-10
        } 
        "library-prototype-label" {
            "source-value" "AB2_cF12_225_a_c"
        } 
        "short-name" {
            "source-value" [
                "CaF2"
            ]
        } 
        "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-1.poscar"
        } 
        "crystal-genome-source-structure-id" {
            "source-value" [
                "TE_743705974244_002-and-SM_058492438145_000-1711748067-tr:2"
            ]
        } 
        "elastic-constants-names" {
            "source-value" [
                "c11" 
                "c12" 
                "c44"
            ]
        } 
        "elastic-constants-values" {
            "source-value" [
                54.55166256013869 
                -2.0506440780085975 
                18.546541905824427
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                0.05583113369720019 
                0.2009536449367059 
                0.030629407483467368
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                54551662560.13869 
                -2050644078.008597 
                18546541905.82442
            ]
        } 
        "elasticity-matrix-raw" {
            "source-value" [
                [
                    54.55166256013869 
                    -2.0506440780085975 
                    -2.4004578854845566 
                    -0.0006399104455498337 
                    0.11525065723959081 
                    0.02997965701383011
                ] 
                [
                    -2.0506440780085975 
                    54.56081573263478 
                    -2.058206284818623 
                    0.019633837689748062 
                    0.05537536342557373 
                    0.028055146389134457
                ] 
                [
                    -2.4004578854845566 
                    -2.058206284818623 
                    54.55154354165097 
                    0.002211115475940441 
                    -0.006304464002488113 
                    -0.06512756681911315
                ] 
                [
                    -0.0006399104455498337 
                    0.019633837689748062 
                    0.002211115475940441 
                    18.546541905824427 
                    0.0005226107023660309 
                    -0.0648376647258929
                ] 
                [
                    0.11525065723959081 
                    0.05537536342557373 
                    -0.006304464002488113 
                    0.0005226107023660309 
                    18.548770546955954 
                    -0.001708311570046383
                ] 
                [
                    0.02997965701383011 
                    0.028055146389134457 
                    -0.06512756681911315 
                    -0.0648376647258929 
                    -0.001708311570046383 
                    18.50225356647075
                ]
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                [
                    0.05583113369720019 
                    0.2009536449367059 
                    0.01921769741900799 
                    0.06558969856494633 
                    0.14146191080466874 
                    0.0687199951483993
                ] 
                [
                    0.2009536449367059 
                    0.18571706480015163 
                    0.06421462840230593 
                    0.0231540194317096 
                    0.19440865082743553 
                    0.04402800696389456
                ] 
                [
                    0.01921769741900799 
                    0.06421462840230593 
                    0.029724683103999457 
                    0.02291879204243375 
                    0.07825596226280383 
                    0.0820816554399795
                ] 
                [
                    0.06558969856494633 
                    0.0231540194317096 
                    0.02291879204243375 
                    0.030629407483467368 
                    0.1595849418449976 
                    0.07332668723232874
                ] 
                [
                    0.14146191080466874 
                    0.19440865082743553 
                    0.07825596226280383 
                    0.1595849418449976 
                    0.03181164495316735 
                    0.009834566731250553
                ] 
                [
                    0.0687199951483993 
                    0.04402800696389456 
                    0.0820816554399795 
                    0.07332668723232874 
                    0.009834566731250553 
                    0.046354065926676964
                ]
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                [
                    54551662560.13869 
                    -2050644078.008597 
                    -2400457885.484557 
                    -639910.4455498337 
                    115250657.2395908 
                    29979657.01383011
                ] 
                [
                    -2050644078.008597 
                    54560815732.63478 
                    -2058206284.818623 
                    19633837.68974806 
                    55375363.42557374 
                    28055146.38913446
                ] 
                [
                    -2400457885.484557 
                    -2058206284.818623 
                    54551543541.65097 
                    2211115.475940441 
                    -6304464.002488113 
                    -65127566.81911315
                ] 
                [
                    -639910.4455498337 
                    19633837.68974806 
                    2211115.475940441 
                    18546541905.82442 
                    522610.7023660308 
                    -64837664.7258929
                ] 
                [
                    115250657.2395908 
                    55375363.42557374 
                    -6304464.002488113 
                    522610.7023660308 
                    18548770546.95596 
                    -1708311.570046383
                ] 
                [
                    29979657.01383011 
                    28055146.38913446 
                    -65127566.81911315 
                    -64837664.7258929 
                    -1708311.570046383 
                    18502253566.47075
                ]
            ]
        } 
        "elasticity-matrix" {
            "source-value" [
                [
                    0.34048469970120965 
                    -0.012799113726829122 
                    -0.012799113726829122 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    -0.012799113726829122 
                    0.34048469970120965 
                    -0.012799113726829122 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    -0.012799113726829122 
                    -0.012799113726829122 
                    0.34048469970120965 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.11575841055877943 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.11575841055877943 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.11575841055877943
                ]
            ] 
            "source-unit" "GPa" 
            "si-unit" "kg / m s^2" 
            "si-value" [
                [
                    340484699.7012097 
                    -12799113.72682912 
                    -12799113.72682912 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    -12799113.72682912 
                    340484699.7012097 
                    -12799113.72682912 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    -12799113.72682912 
                    -12799113.72682912 
                    340484699.7012097 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    115758410.5587794 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    115758410.5587794 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    115758410.5587794
                ]
            ]
        } 
        "distance-to-isotropy" {
            "source-value" 0.4662756055693639
        }
    } 
    {
        "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/bulk-modulus-isothermal-npt" 
        "instance-id" 2 
        "prototype-label" {
            "source-value" "A2B_cF12_225_c_a"
        } 
        "stoichiometric-species" {
            "source-value" [
                "Li" 
                "S"
            ]
        } 
        "a" {
            "source-value" 5.7522 
            "source-unit" "angstrom" 
            "si-unit" "m" 
            "si-value" 5.7522e-10
        } 
        "library-prototype-label" {
            "source-value" "AB2_cF12_225_a_c"
        } 
        "short-name" {
            "source-value" [
                "CaF2"
            ]
        } 
        "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"
        } 
        "crystal-genome-source-structure-id" {
            "source-value" [
                "TE_743705974244_002-and-SM_058492438145_000-1711748067-tr:2"
            ]
        } 
        "isothermal-bulk-modulus" {
            "source-value" 16.738048144599674 
            "source-unit" "GPa" 
            "si-unit" "kg / m s^2" 
            "si-value" 16738048144.59967
        }
    }
]