{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.36786550000000007 -0.08269230000000001 -0.6206025000000001 ] [ -1.6112905000000004 -0.8234828000000002 1.0060572000000003 ] [ 0.5136538000000002 -1.4287016000000001 -0.14114610000000002 ] [ -1.1360005000000002 -0.9881311000000003 1.8073279000000004 ] [ 0.6975960000000001 1.1243887000000001 -1.4057442000000002 ] [ -0.03141070000000001 1.1937275000000003 1.7307695000000005 ] [ 1.4475652000000003 0.6420898000000002 -1.0517637000000002 ] [ -0.24797870000000005 0.36280180000000006 -1.3248980000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.893855085547271e-10 -1.324876708717182e-10 -9.943148245019849e-10 ] [ -2.581571989686177e-09 -1.319364900660895e-09 1.611881338307465e-09 ] [ 8.229641163253093e-10 -2.289032320478414e-09 -2.261409834002274e-10 ] [ -1.820073457312317e-09 -1.583160559748718e-09 2.895658531356289e-09 ] [ 1.117672011171864e-09 1.801469302673636e-09 -2.252250510621023e-09 ] [ -5.032548959758381e-11 1.912562307863235e-09 2.772998451739864e-09 ] [ 2.319255139631537e-09 1.028741274489733e-09 -1.685111224629386e-09 ] [ -3.973056788696958e-10 5.812725667331413e-10 -2.122720618033332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.425716 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.836043105191994e-18 } }