[
    {
        "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/elastic-constants-isothermal-npt" 
        "instance-id" 1 
        "prototype-label" {
            "source-value" "AB3_oP16_62_c_cd"
        } 
        "stoichiometric-species" {
            "source-value" [
                "C" 
                "Fe"
            ]
        } 
        "a" {
            "source-value" 5.226410899576561 
            "source-unit" "angstrom" 
            "si-unit" "m" 
            "si-value" 5.226410899576562e-10
        } 
        "parameter-names" {
            "source-value" [
                "b/a" 
                "c/a" 
                "x1" 
                "z1" 
                "x2" 
                "z2" 
                "x3" 
                "y3" 
                "z3"
            ]
        } 
        "parameter-values" {
            "source-value" [
                1.2857294954993876 
                0.8217210280546844 
                0.12013729794569872 
                0.4259030853217354 
                0.961805457539934 
                0.8567065615351894 
                0.1780343487484497 
                0.9359292253464875 
                0.654650290431904
            ]
        } 
        "short-name" {
            "source-value" [
                "Orthorhombic ClF$_{3}$ Structure"
            ]
        } 
        "library-prototype-label" {
            "source-value" "AB3_oP16_62_c_cd-005"
        } 
        "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
        } 
        "crystal-genome-source-structure-id" {
            "source-value" [
                [
                    "RD_386794735444_000" 
                    "RD_877140121209_000"
                ]
            ]
        } 
        "coordinates-file" {
            "source-value" "instance-1.poscar"
        } 
        "coordinates-file-conventional" {
            "source-value" "conventional.instance-1.poscar"
        } 
        "elastic-constants-names" {
            "source-value" [
                "c11" 
                "c12" 
                "c13" 
                "c22" 
                "c23" 
                "c33" 
                "c44" 
                "c55" 
                "c66"
            ]
        } 
        "elastic-constants-values" {
            "source-value" [
                313.2814950633606 
                182.84838644816762 
                139.70085370057595 
                212.89584222479405 
                148.87773655199322 
                373.1208279973427 
                53.80198686505688 
                107.37650489718837 
                126.36116065188969
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                0.35587452699549543 
                0.08899842585075228 
                0.06498713358598802 
                0.23487503124990713 
                0.049257825831366314 
                0.5855459490580709 
                0.016897506741713454 
                0.10370335498952041 
                0.09533790126478624
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                313281495063.3606 
                182848386448.1676 
                139700853700.576 
                212895842224.794 
                148877736551.9932 
                373120827997.3427 
                53801986865.05688 
                107376504897.1884 
                126361160651.8897
            ]
        } 
        "elasticity-matrix-raw" {
            "source-value" [
                [
                    313.2814950633606 
                    182.84838644816762 
                    139.70085370057595 
                    -0.0006940065086991286 
                    0.00019888312733660267 
                    4.9906746561492876e-05
                ] 
                [
                    182.84838644816762 
                    212.89584222479405 
                    148.87773655199322 
                    0.0002576056600749468 
                    -4.0769790791383916e-05 
                    0.0007046897498994806
                ] 
                [
                    139.70085370057595 
                    148.87773655199322 
                    373.1208279973427 
                    0.0001417319693314238 
                    1.4165694271419623e-05 
                    9.917193723439205e-06
                ] 
                [
                    -0.0006940065086991286 
                    0.0002576056600749468 
                    0.0001417319693314238 
                    53.80198686505688 
                    0.00014813469515849632 
                    0.00010568047592354484
                ] 
                [
                    0.00019888312733660267 
                    -4.0769790791383916e-05 
                    1.4165694271419623e-05 
                    0.00014813469515849632 
                    107.37650489718837 
                    2.9028746815486738e-05
                ] 
                [
                    4.9906746561492876e-05 
                    0.0007046897498994806 
                    9.917193723439205e-06 
                    0.00010568047592354484 
                    2.9028746815486738e-05 
                    126.36116065188969
                ]
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                [
                    0.35587452699549543 
                    0.08899842585075228 
                    0.06498713358598802 
                    0.0007559386973453053 
                    0.00021498543160372265 
                    0.0001681054918442192
                ] 
                [
                    0.08899842585075228 
                    0.23487503124990713 
                    0.049257825831366314 
                    0.00030036263121067816 
                    0.0002845407655675529 
                    0.0026487377728354974
                ] 
                [
                    0.06498713358598802 
                    0.049257825831366314 
                    0.5855459490580709 
                    0.00018525421262281108 
                    0.0008658263655133356 
                    0.0003866624945520024
                ] 
                [
                    0.0007559386973453053 
                    0.00030036263121067816 
                    0.00018525421262281108 
                    0.016897506741713454 
                    0.0002582375169119254 
                    0.00010921531267284823
                ] 
                [
                    0.00021498543160372265 
                    0.0002845407655675529 
                    0.0008658263655133356 
                    0.0002582375169119254 
                    0.10370335498952041 
                    2.5642826656967576e-05
                ] 
                [
                    0.0001681054918442192 
                    0.0026487377728354974 
                    0.0003866624945520024 
                    0.00010921531267284823 
                    2.5642826656967576e-05 
                    0.09533790126478624
                ]
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                [
                    313281495063.3606 
                    182848386448.1676 
                    139700853700.576 
                    -694006.5086991285 
                    198883.1273366027 
                    49906.74656149287
                ] 
                [
                    182848386448.1676 
                    212895842224.794 
                    148877736551.9932 
                    257605.6600749468 
                    -40769.79079138392 
                    704689.7498994806
                ] 
                [
                    139700853700.576 
                    148877736551.9932 
                    373120827997.3427 
                    141731.9693314238 
                    14165.69427141962 
                    9917.193723439204
                ] 
                [
                    -694006.5086991285 
                    257605.6600749468 
                    141731.9693314238 
                    53801986865.05688 
                    148134.6951584963 
                    105680.4759235448
                ] 
                [
                    198883.1273366027 
                    -40769.79079138392 
                    14165.69427141962 
                    148134.6951584963 
                    107376504897.1884 
                    29028.74681548674
                ] 
                [
                    49906.74656149287 
                    704689.7498994806 
                    9917.193723439204 
                    105680.4759235448 
                    29028.74681548674 
                    126361160651.8897
                ]
            ]
        } 
        "elasticity-matrix" {
            "source-value" [
                [
                    313.2814950633606 
                    182.84838644816762 
                    139.70085370057595 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    182.84838644816762 
                    212.89584222479405 
                    148.87773655199322 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    139.70085370057595 
                    148.87773655199322 
                    373.1208279973427 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    53.80198686505688 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    107.37650489718837 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    126.36116065188969
                ]
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                [
                    0.35587452699549543 
                    0.08899842585075228 
                    0.06498713358598802 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.08899842585075228 
                    0.23487503124990713 
                    0.049257825831366314 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.06498713358598802 
                    0.049257825831366314 
                    0.5855459490580709 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.016897506741713454 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.10370335498952041 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.09533790126478624
                ]
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                [
                    313281495063.3606 
                    182848386448.1676 
                    139700853700.576 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    182848386448.1676 
                    212895842224.794 
                    148877736551.9932 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    139700853700.576 
                    148877736551.9932 
                    373120827997.3427 
                    0.0 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    53801986865.05688 
                    0.0 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    107376504897.1884 
                    0.0
                ] 
                [
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    0.0 
                    126361160651.8897
                ]
            ]
        } 
        "elasticity-matrix-structure" {
            "source-value" "matrix-structure-1.svg"
        } 
        "distance-to-isotropy" {
            "source-value" 1.1450402214269193
        }
    } 
    {
        "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/bulk-modulus-isothermal-npt" 
        "instance-id" 2 
        "prototype-label" {
            "source-value" "AB3_oP16_62_c_cd"
        } 
        "stoichiometric-species" {
            "source-value" [
                "C" 
                "Fe"
            ]
        } 
        "a" {
            "source-value" 5.226410899576561 
            "source-unit" "angstrom" 
            "si-unit" "m" 
            "si-value" 5.226410899576562e-10
        } 
        "parameter-names" {
            "source-value" [
                "b/a" 
                "c/a" 
                "x1" 
                "z1" 
                "x2" 
                "z2" 
                "x3" 
                "y3" 
                "z3"
            ]
        } 
        "parameter-values" {
            "source-value" [
                1.2857294954993876 
                0.8217210280546844 
                0.12013729794569872 
                0.4259030853217354 
                0.961805457539934 
                0.8567065615351894 
                0.1780343487484497 
                0.9359292253464875 
                0.654650290431904
            ]
        } 
        "short-name" {
            "source-value" [
                "Orthorhombic ClF$_{3}$ Structure"
            ]
        } 
        "library-prototype-label" {
            "source-value" "AB3_oP16_62_c_cd-005"
        } 
        "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
        } 
        "crystal-genome-source-structure-id" {
            "source-value" [
                [
                    "RD_386794735444_000" 
                    "RD_877140121209_000"
                ]
            ]
        } 
        "coordinates-file" {
            "source-value" "instance-2.poscar"
        } 
        "coordinates-file-conventional" {
            "source-value" "conventional.instance-2.poscar"
        } 
        "isothermal-bulk-modulus" {
            "source-value" 194.61610060130212 
            "source-unit" "GPa" 
            "si-unit" "kg / m s^2" 
            "si-value" 194616100601.3021
        }
    }
]