{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4794723 -4.2171458 -0.8379834 ] [ -6.1305662 10.4047276 -1.6423359 ] [ -10.5550518 -5.1330065 -1.8337154 ] [ 3.8571857 -3.7530439 -3.9252593 ] [ 4.653509 3.0950239 8.1765497 ] [ -3.0064304 -2.1252073 0.6031715 ] [ 6.7018814 1.7286521 -0.5404272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.176905851710237e-09 -6.756612462931236e-09 -1.342597423159875e-09 ] [ -9.82224991883017e-09 1.66702114438549e-08 -2.63131220415936e-09 ] [ -1.691105736461964e-08 -8.223983076470119e-09 -2.937935967285963e-09 ] [ 6.179892801538933e-09 -6.013039242956233e-09 -6.288958732851196e-09 ] [ 7.455743385908705e-09 4.958774974251552e-09 1.310027687607971e-08 ] [ -4.816832538627273e-09 -3.404957478466228e-09 9.663872835947308e-10 ] [ 1.073759778291921e-08 2.769606002935031e-09 -8.658598322180447e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.425605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830583736031357e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5975181 2.3415129 3.9083866 ] [ 1.4138544 5.4273067 2.8324431 ] [ 1.0242334 3.1092183 2.1874092 ] [ 2.8357908 3.2537212 0.5629773 ] [ 3.016651 4.645166 4.5858229 ] [ 4.4386429 2.4715481 2.3162914 ] [ 3.7879469 4.8951298 2.2085594 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5975181e-10 2.3415129e-10 3.9083866e-10 ] [ 1.4138544e-10 5.4273067e-10 2.8324431e-10 ] [ 1.0242334e-10 3.1092183e-10 2.1874092e-10 ] [ 2.8357908e-10 3.2537212e-10 5.629773e-11 ] [ 3.016651e-10 4.645166e-10 4.585822900000001e-10 ] [ 4.4386429e-10 2.4715481e-10 2.3162914e-10 ] [ 3.7879469e-10 4.8951298e-10 2.2085594e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-06 -1.92e-05 2.99e-05 ] [ 1.9e-06 1.38e-05 5.15e-05 ] [ 2.68e-05 8.9e-06 -9.2e-06 ] [ 5.33e-05 1.01e-05 2.3e-06 ] [ -1.1e-06 1.48e-05 -4.25e-05 ] [ -2.89e-05 2.27e-05 -9.3e-06 ] [ -4.29e-05 -5.11e-05 -2.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4419589706e-14 -3.076179137279999e-14 4.790508135659999e-14 ] [ 3.0441356046e-15 2.21100375492e-14 8.251209665099998e-14 ] [ 4.293833379119999e-14 1.42593720426e-14 -1.47400250328e-14 ] [ 8.53960145922e-14 1.61819840034e-14 3.685006258199999e-15 ] [ -1.7623942974e-15 2.37122141832e-14 -6.8092506945e-14 ] [ -4.63029047226e-14 3.636940959179999e-14 -1.49002426962e-14 ] [ -6.873337759859999e-14 -8.187122599739999e-14 -3.65296272552e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.65628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.828847925936151e-18 } }