{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7970962 -2.6653817 -0.7224008 ] [ 0.0619159 -4.5661153 6.7034792 ] [ -2.4755595 6.189146 -7.1617491 ] [ 0.2256817 1.6019865 4.9417365 ] [ 0.1691887 -0.3385012 -5.241853 ] [ -0.7283157 -1.7212592 1.1492518 ] [ 1.9499927 1.5001249 0.3315355 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.277088896168521e-09 -4.270412245248159e-09 -1.157413672607217e-09 ] [ 9.920020743579072e-11 -7.315723181537178e-09 1.074015765225909e-08 ] [ -3.966283554299337e-09 9.916105023917838e-09 -1.147438697205544e-08 ] [ 3.615819434823994e-10 2.566665317137219e-09 7.91753468645402e-09 ] [ 2.71070179643545e-10 -5.42338708752745e-10 -8.398374326270342e-09 ] [ -1.166890387101587e-09 -2.757761248576912e-09 1.841304365372317e-09 ] [ 3.124232714670668e-09 2.403465043059938e-09 5.311784270652384e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.041555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.890575762387734e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7897068 1.9756901 2.0853125 ] [ 2.619971 2.749435 4.3802021 ] [ 2.1308709 4.2838163 2.4493058 ] [ 5.0514158 2.6010721 2.0093691 ] [ 5.0461285 2.8306369 4.3459199 ] [ 4.4029391 4.8484264 1.8067054 ] [ 3.8467239 4.9339452 4.1683411 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7897068e-10 1.9756901e-10 2.0853125e-10 ] [ 2.619971e-10 2.749435e-10 4.3802021e-10 ] [ 2.1308709e-10 4.2838163e-10 2.4493058e-10 ] [ 5.0514158e-10 2.6010721e-10 2.0093691e-10 ] [ 5.046128500000001e-10 2.8306369e-10 4.3459199e-10 ] [ 4.4029391e-10 4.8484264e-10 1.8067054e-10 ] [ 3.8467239e-10 4.933945200000001e-10 4.1683411e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-06 -1.07e-05 -9.1e-06 ] [ -4.1e-06 6e-07 -7.2e-06 ] [ 4.6e-06 9.7e-06 1.11e-05 ] [ -2.3e-06 -8.7e-06 1.4e-06 ] [ 5.9e-06 6.3e-06 -3.5e-06 ] [ -4.9e-06 -5.5e-06 7.3e-06 ] [ -3e-06 8.2e-06 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.24848882112e-15 -1.714328984256e-14 -1.457980724928e-14 ] [ -6.568924145279999e-15 9.6130597248e-16 -1.153567166976e-14 ] [ 7.370012455680001e-15 1.554111322176e-14 1.778416049088e-14 ] [ -3.68500622784e-15 -1.393893660096e-14 2.24304726912e-15 ] [ 9.45284206272e-15 1.009371271104e-14 -5.6076181728e-15 ] [ -7.850665441919999e-15 -8.8119714144e-15 1.169588933184e-14 ] [ -4.8065298624e-15 1.313784829056e-14 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.526286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609108878265435e-18 } }