{ "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" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.009287 -0.2836009 -1.6565947 ] [ -3.3925224 0.7602519 0.375327 ] [ 2.0355163 0.6939449 -1.0043426 ] [ 4.3971748 1.4248642 2.7004307 ] [ -0.2465705 -0.6420841 0.962919 ] [ 3.2156888 -1.953376 -1.3777395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.627939218399957e-09 -4.543787353613705e-10 -2.65415732034824e-09 ] [ -5.435420119601601e-09 1.218057830134104e-09 6.01340149509318e-10 ] [ 3.261256653986133e-09 1.111822304063467e-09 -1.609134246250808e-09 ] [ 7.045050720173623e-09 2.282884127863102e-09 4.326566969276264e-09 ] [ -3.950494937336969e-10 -1.028732142082919e-09 1.542766322234646e-09 ] [ 5.152101457575499e-09 -3.129653384616384e-09 -2.207382034638843e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.112442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421280145508023e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4454948 0.1943553 2.0218786 ] [ -0.213707 2.7368641 2.6297275 ] [ 2.9094673 0.4130834 -0.1724006 ] [ 2.03934 0.0439044 2.1332529 ] [ 3.1412715 2.9555845 0.4354588 ] [ 2.2535531 2.3935835 2.6950112 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.454948e-11 1.943553e-11 2.0218786e-10 ] [ -2.13707e-11 2.7368641e-10 2.6297275e-10 ] [ 2.9094673e-10 4.130834e-11 -1.724006e-11 ] [ 2.03934e-10 4.390440000000001e-12 2.1332529e-10 ] [ 3.141271500000001e-10 2.9555845e-10 4.354588e-11 ] [ 2.2535531e-10 2.3935835e-10 2.6950112e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.23e-05 -2.43e-05 -1.51e-05 ] [ 3.52e-05 7.8e-06 1.3e-06 ] [ -5.1e-06 -2.9e-05 -1.27e-05 ] [ 3.5e-06 -2.03e-05 1.17e-05 ] [ -7.1e-06 3.09e-05 1.69e-05 ] [ -4.1e-06 3.49e-05 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.572853893819999e-14 -3.893289220619999e-14 -2.41928671734e-14 ] [ 5.63966175168e-14 1.24969777452e-14 2.0828296242e-15 ] [ -8.1711008334e-15 -4.6463122386e-14 -2.03476432518e-14 ] [ 5.607618218999999e-15 -3.252418567019999e-14 1.87454666178e-14 ] [ -1.13754541014e-14 4.950725799059999e-14 2.70767851146e-14 ] [ -6.568924199399999e-15 5.59159645266e-14 -3.5247885948e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949841671799e-18 } }