{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4884128 -3.4906056 19.9808955 ] [ -20.2112427 8.0109579 1.6861493 ] [ 51.3352279 3.3594106 -5.1718314 ] [ -27.7701966 -34.9759917 -20.930598 ] [ 12.6066956 15.5618372 -25.585848 ] [ -0.4720713 11.5343916 30.0212326 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.481517288145947e-08 -5.592566684753557e-09 3.201292363274793e-08 ] [ -3.238198053125467e-08 1.283496945759306e-08 2.701508987638286e-09 ] [ 8.224810196481989e-08 5.382369122987701e-09 -8.286187355799333e-09 ] [ -4.449275974753965e-08 -5.603771619103485e-08 -3.353451477496324e-08 ] [ 2.019815295586223e-08 2.493281173853573e-08 -4.099304748894244e-08 ] [ -7.56341600210663e-10 1.84801325566719e-08 4.80993169993188e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.464259 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.278735733179598e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.01573 0.3044264 1.9423812 ] [ 0.379432 2.6201909 1.7618472 ] [ 3.4158148 0.7180166 0.164694 ] [ 1.841476 -0.8304485 0.9818165 ] [ 2.6309086 2.8940619 0.5846837 ] [ 2.4591828 3.2672409 3.1166117 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.573e-12 3.044264e-11 1.9423812e-10 ] [ 3.79432e-11 2.6201909e-10 1.7618472e-10 ] [ 3.415814800000001e-10 7.180166e-11 1.64694e-11 ] [ 1.841476e-10 -8.304485000000001e-11 9.818165e-11 ] [ 2.6309086e-10 2.8940619e-10 5.846837000000001e-11 ] [ 2.4591828e-10 3.2672409e-10 3.1166117e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.05e-05 -1.25e-05 6.3e-06 ] [ 2.8e-05 1.02e-05 -1.96e-05 ] [ -3.2e-06 5e-07 -0.0 ] [ 5.7e-06 6.1e-06 1e-06 ] [ -2.12e-05 -9e-07 4e-06 ] [ 1.2e-06 -3.5e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.68228545184e-14 -2.002720776e-14 1.009371271104e-14 ] [ 4.48609453824e-14 1.634220153216e-14 -3.140266176767999e-14 ] [ -5.126965186560001e-15 8.010883104e-16 0.0 ] [ 9.13240673856e-15 9.77327738688e-15 1.6021766208e-15 ] [ -3.396614436096001e-14 -1.44195895872e-15 6.4087064832e-15 ] [ 1.92261194496e-15 -5.6076181728e-15 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.107336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.100026730017019e-18 } }