{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8216036 0.9319765 0.7075656 ] [ 0.8067119 -0.8763789 -0.1913101 ] [ -4.0903353 1.3968189 1.3724428 ] [ -9.2269234 4.7371793 -3.9449506 ] [ 3.9613654 -5.1696318 3.5752673 ] [ 2.9875591 -6.7644474 -8.5546752 ] [ 4.7400188 5.7444834 7.0356603 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.316354079485115e-09 1.493190959435011e-09 1.133645062002324e-09 ] [ 1.292494945901148e-09 -1.404113784542421e-09 -3.065125695429101e-10 ] [ -6.553439588892953e-09 2.237950585071573e-09 2.19889576754529e-09 ] [ -1.478316095339245e-08 7.58979792299771e-09 -6.320507621530932e-09 ] [ 6.34680703032604e-09 -8.282663208104222e-09 5.72820968117074e-09 ] [ 4.78659734327829e-09 -1.083783947691135e-08 -1.370610060397757e-08 ] [ 7.59434730351247e-09 9.203677002053695e-09 1.127237044455072e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.471904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9595252730462e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.863854 2.8355149 0.9416516 ] [ 1.6517193 1.4687783 2.8435957 ] [ 1.0726967 3.1010872 4.48469 ] [ 1.8112297 4.5309843 2.6935867 ] [ 3.4338954 2.4535918 4.2233712 ] [ 3.9890981 3.3440693 1.9427834 ] [ 3.9280948 4.8364872 3.8479146 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.863854e-10 2.8355149e-10 9.416516000000001e-11 ] [ 1.6517193e-10 1.4687783e-10 2.8435957e-10 ] [ 1.0726967e-10 3.1010872e-10 4.48469e-10 ] [ 1.8112297e-10 4.5309843e-10 2.6935867e-10 ] [ 3.4338954e-10 2.4535918e-10 4.2233712e-10 ] [ 3.9890981e-10 3.3440693e-10 1.9427834e-10 ] [ 3.9280948e-10 4.8364872e-10 3.8479146e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.24e-05 3.1e-06 1.02e-05 ] [ -2.96e-05 -1.05e-05 -2.1e-05 ] [ -3.47e-05 -2.94e-05 4.47e-05 ] [ -1.56e-05 5.4e-06 4.3e-06 ] [ 1e-05 5.75e-05 -4.12e-05 ] [ -3.8e-06 7e-07 4.88e-05 ] [ 3.14e-05 -2.67e-05 -4.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.793228872192001e-14 4.96674752448e-15 1.634220153216e-14 ] [ -4.742442797568e-14 -1.68228545184e-14 -3.36457090368e-14 ] [ -5.559552874176001e-14 -4.710399265152e-14 7.161729494976001e-14 ] [ -2.499395528448e-14 8.65175375232e-15 6.889359469440001e-15 ] [ 1.6021766208e-14 9.212515569600001e-14 -6.600967677696001e-14 ] [ -6.08827115904e-15 1.12152363456e-15 7.818621909504e-14 ] [ 5.030834589312e-14 -4.277811577536e-14 -7.321947157056e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.0662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.535394974989696e-18 } }