[
    {
        "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/elastic-constants-isothermal-npt" 
        "instance-id" 1 
        "prototype-label" {
            "source-value" "A21B8_aP29_2_a10i_4i"
        } 
        "stoichiometric-species" {
            "source-value" [
                "Ni" 
                "Zr"
            ]
        } 
        "a" {
            "source-value" 6.375400000000001 
            "source-unit" "angstrom" 
            "si-unit" "m" 
            "si-value" 6.375400000000002e-10
        } 
        "parameter-names" {
            "source-value" [
                "b/a" 
                "c/a" 
                "alpha" 
                "beta" 
                "gamma" 
                "x2" 
                "y2" 
                "z2" 
                "x3" 
                "y3" 
                "z3" 
                "x4" 
                "y4" 
                "z4" 
                "x5" 
                "y5" 
                "z5" 
                "x6" 
                "y6" 
                "z6" 
                "x7" 
                "y7" 
                "z7" 
                "x8" 
                "y8" 
                "z8" 
                "x9" 
                "y9" 
                "z9" 
                "x10" 
                "y10" 
                "z10" 
                "x11" 
                "y11" 
                "z11" 
                "x12" 
                "y12" 
                "z12" 
                "x13" 
                "y13" 
                "z13" 
                "x14" 
                "y14" 
                "z14" 
                "x15" 
                "y15" 
                "z15"
            ]
        } 
        "parameter-values" {
            "source-value" [
                1.4447094 
                1.29984 
                89.5481 
                110.4243 
                76.2645 
                0.940534 
                0.25252805 
                0.84730865 
                0.47601608 
                0.61122256 
                0.29047828 
                0.45748745 
                0.22916927 
                0.32009061 
                0.82512008 
                0.23381689 
                0.5373178 
                0.35548284 
                0.12450302 
                0.021471557 
                0.34317505 
                0.76261793 
                0.019426896 
                0.76508932 
                0.72711557 
                0.267597 
                0.7446842 
                0.35979193 
                0.26736493 
                0.15672552 
                0.18364887 
                0.45338107 
                0.054967266 
                0.23708964 
                0.15072902 
                0.38232104 
                0.93312201 
                0.31316534 
                0.26906885 
                0.45068627 
                0.013704128 
                0.83523108 
                0.52267059 
                0.61503976 
                0.83160308 
                0.026667079 
                0.27646868
            ]
        } 
        "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_705057757994_002-and-MO_959249795837_003-1710528338-tr:2"
            ]
        } 
        "elastic-constants-names" {
            "source-value" [
                "c11" 
                "c12" 
                "c13" 
                "c14" 
                "c15" 
                "c16" 
                "c22" 
                "c23" 
                "c24" 
                "c25" 
                "c26" 
                "c33" 
                "c34" 
                "c35" 
                "c36" 
                "c44" 
                "c45" 
                "c46" 
                "c55" 
                "c56" 
                "c66"
            ]
        } 
        "elastic-constants-values" {
            "source-value" [
                2627.146942136609 
                1250.01541321099 
                1000.9682060660724 
                -23.573598186521355 
                4.992256280978245 
                -53.90268375019501 
                2405.8742038735663 
                1066.4316768452566 
                100.65341058563475 
                -87.86183624939015 
                19.68739739999819 
                2785.309451600163 
                -111.55086755186868 
                118.24015725846215 
                68.10288054150622 
                594.5541401800102 
                10.630913748025668 
                -68.28811844851413 
                610.966445084664 
                -37.217627829007704 
                430.08548869161496
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                0.20690784583134902 
                0.11807594167654827 
                0.07826683232706508 
                0.061073524022498694 
                0.05343853986517659 
                0.11307015346064415 
                0.33978927382697405 
                0.03347159319875173 
                0.10679317863994327 
                0.07061101569772622 
                0.0414407011305149 
                0.03865821167768219 
                0.025526645929916113 
                0.05214186495897167 
                0.286356887884817 
                0.040575307051856566 
                0.01992730772658935 
                0.08429796624698221 
                0.01801458820419362 
                0.023105501594532285 
                0.03936232618080411
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                2627146942136.6094 
                1250015413210.99 
                1000968206066.0724 
                -23573598186.521355 
                4992256280.978246 
                -53902683750.19501 
                2405874203873.5664 
                1066431676845.2566 
                100653410585.63475 
                -87861836249.39015 
                19687397399.99819 
                2785309451600.163 
                -111550867551.86868 
                118240157258.46214 
                68102880541.506226 
                594554140180.0103 
                10630913748.025667 
                -68288118448.51413 
                610966445084.664 
                -37217627829.007706 
                430085488691.6149
            ]
        } 
        "elasticity-matrix-raw" {
            "source-value" [
                [
                    2627.146942136609 
                    1250.01541321099 
                    1000.9682060660724 
                    -23.573598186521355 
                    4.992256280978245 
                    -53.90268375019501
                ] 
                [
                    1250.01541321099 
                    2405.8742038735663 
                    1066.4316768452566 
                    100.65341058563475 
                    -87.86183624939015 
                    19.68739739999819
                ] 
                [
                    1000.9682060660724 
                    1066.4316768452566 
                    2785.309451600163 
                    -111.55086755186868 
                    118.24015725846215 
                    68.10288054150622
                ] 
                [
                    -23.573598186521355 
                    100.65341058563475 
                    -111.55086755186868 
                    594.5541401800102 
                    10.630913748025668 
                    -68.28811844851413
                ] 
                [
                    4.992256280978245 
                    -87.86183624939015 
                    118.24015725846215 
                    10.630913748025668 
                    610.966445084664 
                    -37.217627829007704
                ] 
                [
                    -53.90268375019501 
                    19.68739739999819 
                    68.10288054150622 
                    -68.28811844851413 
                    -37.217627829007704 
                    430.08548869161496
                ]
            ] 
            "source-unit" "GPa" 
            "source-expand-uncert-value" [
                [
                    0.20690784583134902 
                    0.11807594167654827 
                    0.07826683232706508 
                    0.061073524022498694 
                    0.05343853986517659 
                    0.11307015346064415
                ] 
                [
                    0.11807594167654827 
                    0.33978927382697405 
                    0.03347159319875173 
                    0.10679317863994327 
                    0.07061101569772622 
                    0.0414407011305149
                ] 
                [
                    0.07826683232706508 
                    0.03347159319875173 
                    0.03865821167768219 
                    0.025526645929916113 
                    0.05214186495897167 
                    0.286356887884817
                ] 
                [
                    0.061073524022498694 
                    0.10679317863994327 
                    0.025526645929916113 
                    0.040575307051856566 
                    0.01992730772658935 
                    0.08429796624698221
                ] 
                [
                    0.05343853986517659 
                    0.07061101569772622 
                    0.05214186495897167 
                    0.01992730772658935 
                    0.01801458820419362 
                    0.023105501594532285
                ] 
                [
                    0.11307015346064415 
                    0.0414407011305149 
                    0.286356887884817 
                    0.08429796624698221 
                    0.023105501594532285 
                    0.03936232618080411
                ]
            ] 
            "uncert-lev-of-confid" 95.0 
            "si-unit" "kg / m s^2" 
            "si-value" [
                [
                    2627146942136.609 
                    1250015413210.99 
                    1000968206066.072 
                    -23573598186.52135 
                    4992256280.978246 
                    -53902683750.19501
                ] 
                [
                    1250015413210.99 
                    2405874203873.566 
                    1066431676845.257 
                    100653410585.6348 
                    -87861836249.39015 
                    19687397399.99819
                ] 
                [
                    1000968206066.072 
                    1066431676845.257 
                    2785309451600.163 
                    -111550867551.8687 
                    118240157258.4621 
                    68102880541.50623
                ] 
                [
                    -23573598186.52135 
                    100653410585.6348 
                    -111550867551.8687 
                    594554140180.0103 
                    10630913748.02567 
                    -68288118448.51413
                ] 
                [
                    4992256280.978246 
                    -87861836249.39015 
                    118240157258.4621 
                    10630913748.02567 
                    610966445084.664 
                    -37217627829.00771
                ] 
                [
                    -53902683750.19501 
                    19687397399.99819 
                    68102880541.50623 
                    -68288118448.51413 
                    -37217627829.00771 
                    430085488691.6149
                ]
            ]
        } 
        "elasticity-matrix" {
            "source-value" [
                [
                    16.397361614381943 
                    7.801982609051125 
                    6.247552192880384 
                    -0.14713482821107807 
                    0.031159213136473733 
                    -0.33643409253644135
                ] 
                [
                    7.801982609051125 
                    15.016285799203981 
                    6.656143043160655 
                    0.6282291807215138 
                    -0.548390452767429 
                    0.12287907053697902
                ] 
                [
                    6.247552192880384 
                    6.656143043160655 
                    17.38453436057131 
                    -0.6962457578251829 
                    0.7379970205745631 
                    0.4250647503987484
                ] 
                [
                    -0.14713482821107807 
                    0.6282291807215138 
                    -0.6962457578251829 
                    3.710915091765208 
                    0.06635294517477999 
                    -0.42622091448579774
                ] 
                [
                    0.031159213136473733 
                    -0.548390452767429 
                    0.7379970205745631 
                    0.06635294517477999 
                    3.8133526426043827 
                    -0.2322941637384783
                ] 
                [
                    -0.33643409253644135 
                    0.12287907053697902 
                    0.4250647503987484 
                    -0.42622091448579774 
                    -0.2322941637384783 
                    2.6843825025786754
                ]
            ] 
            "source-unit" "GPa" 
            "si-unit" "kg / m s^2" 
            "si-value" [
                [
                    16397361614.38194 
                    7801982609.051125 
                    6247552192.880384 
                    -147134828.2110781 
                    31159213.13647373 
                    -336434092.5364413
                ] 
                [
                    7801982609.051125 
                    15016285799.20398 
                    6656143043.160655 
                    628229180.7215137 
                    -548390452.767429 
                    122879070.536979
                ] 
                [
                    6247552192.880384 
                    6656143043.160655 
                    17384534360.57131 
                    -696245757.8251829 
                    737997020.574563 
                    425064750.3987484
                ] 
                [
                    -147134828.2110781 
                    628229180.7215137 
                    -696245757.8251829 
                    3710915091.765208 
                    66352945.17477999 
                    -426220914.4857978
                ] 
                [
                    31159213.13647373 
                    -548390452.767429 
                    737997020.574563 
                    66352945.17477999 
                    3813352642.604383 
                    -232294163.7384783
                ] 
                [
                    -336434092.5364413 
                    122879070.536979 
                    425064750.3987484 
                    -426220914.4857978 
                    -232294163.7384783 
                    2684382502.578675
                ]
            ]
        } 
        "distance-to-isotropy" {
            "source-value" 0.6609726175046199
        }
    } 
    {
        "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/bulk-modulus-isothermal-npt" 
        "instance-id" 2 
        "prototype-label" {
            "source-value" "A21B8_aP29_2_a10i_4i"
        } 
        "stoichiometric-species" {
            "source-value" [
                "Ni" 
                "Zr"
            ]
        } 
        "a" {
            "source-value" 6.375400000000001 
            "source-unit" "angstrom" 
            "si-unit" "m" 
            "si-value" 6.375400000000002e-10
        } 
        "parameter-names" {
            "source-value" [
                "b/a" 
                "c/a" 
                "alpha" 
                "beta" 
                "gamma" 
                "x2" 
                "y2" 
                "z2" 
                "x3" 
                "y3" 
                "z3" 
                "x4" 
                "y4" 
                "z4" 
                "x5" 
                "y5" 
                "z5" 
                "x6" 
                "y6" 
                "z6" 
                "x7" 
                "y7" 
                "z7" 
                "x8" 
                "y8" 
                "z8" 
                "x9" 
                "y9" 
                "z9" 
                "x10" 
                "y10" 
                "z10" 
                "x11" 
                "y11" 
                "z11" 
                "x12" 
                "y12" 
                "z12" 
                "x13" 
                "y13" 
                "z13" 
                "x14" 
                "y14" 
                "z14" 
                "x15" 
                "y15" 
                "z15"
            ]
        } 
        "parameter-values" {
            "source-value" [
                1.4447094 
                1.29984 
                89.5481 
                110.4243 
                76.2645 
                0.940534 
                0.25252805 
                0.84730865 
                0.47601608 
                0.61122256 
                0.29047828 
                0.45748745 
                0.22916927 
                0.32009061 
                0.82512008 
                0.23381689 
                0.5373178 
                0.35548284 
                0.12450302 
                0.021471557 
                0.34317505 
                0.76261793 
                0.019426896 
                0.76508932 
                0.72711557 
                0.267597 
                0.7446842 
                0.35979193 
                0.26736493 
                0.15672552 
                0.18364887 
                0.45338107 
                0.054967266 
                0.23708964 
                0.15072902 
                0.38232104 
                0.93312201 
                0.31316534 
                0.26906885 
                0.45068627 
                0.013704128 
                0.83523108 
                0.52267059 
                0.61503976 
                0.83160308 
                0.026667079 
                0.27646868
            ]
        } 
        "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_705057757994_002-and-MO_959249795837_003-1710528338-tr:2"
            ]
        } 
        "isothermal-bulk-modulus" {
            "source-value" 1604.1008741165826 
            "source-unit" "GPa" 
            "si-unit" "kg / m s^2" 
            "si-value" 1604100874116.583
        }
    }
]