{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2483157 -0.3780606 0.8695489 ] [ -2.2768556 -1.4384277 0.3579847 ] [ 0.6257229 -0.4432932 0.7070478 ] [ 1.9111047 1.107273 -2.7566654 ] [ -0.2935306 -3.624498 2.3442803 ] [ -0.9997747 4.662774 -1.0918121 ] [ 1.2816489 0.1142326 -0.4303843 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.978456091175865e-10 -6.057198545656205e-10 1.393170918222357e-09 ] [ -3.647924811257557e-09 -2.304615231651116e-09 5.735547169441018e-10 ] [ 1.002518601479176e-09 -7.102340011996185e-10 1.132815454948074e-09 ] [ 3.061927270240998e-09 1.774046913443078e-09 -4.416664855248281e-09 ] [ -4.702878648093964e-10 -5.807085957736358e-09 3.75595108926201e-09 ] [ -1.601815650407334e-09 7.470587490874099e-09 -1.749275820926552e-09 ] [ 2.053427903654037e-09 1.830208010531981e-10 -6.895516634193734e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.730309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.603102938815983e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7006423 1.0102584 2.0739764 ] [ 1.6540003 2.368673 3.8296945 ] [ 1.8218339 3.2389428 1.5410856 ] [ 4.2071608 2.7902576 1.3823872 ] [ 4.018539 1.8121906 3.954488 ] [ 3.0308812 4.3169317 3.3555911 ] [ 5.2724504 3.661863 3.2708784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7006423e-10 1.0102584e-10 2.0739764e-10 ] [ 1.6540003e-10 2.368673e-10 3.8296945e-10 ] [ 1.8218339e-10 3.2389428e-10 1.5410856e-10 ] [ 4.2071608e-10 2.7902576e-10 1.3823872e-10 ] [ 4.018539e-10 1.8121906e-10 3.954488e-10 ] [ 3.0308812e-10 4.3169317e-10 3.3555911e-10 ] [ 5.2724504e-10 3.661863e-10 3.2708784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.69e-05 7.11e-05 -7.2e-06 ] [ 5e-07 -2.23e-05 -2.73e-05 ] [ -3.03e-05 -2.97e-05 -3.32e-05 ] [ 3e-07 6.3e-06 3.32e-05 ] [ 3.36e-05 -4.67e-05 6.74e-05 ] [ 2e-06 -1.03e-05 -8.6e-06 ] [ 4.09e-05 3.17e-05 -2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.514208351552e-14 1.1391475773888e-13 -1.153567166976e-14 ] [ 8.010883104e-16 -3.572853864384e-14 -4.373942174784e-14 ] [ -4.854595161024e-14 -4.758464563776e-14 -5.319226381056e-14 ] [ 4.8065298624e-16 1.009371271104e-14 5.319226381056e-14 ] [ 5.383313445888e-14 -7.482164819136e-14 1.0798670424192e-13 ] [ 3.2043532416e-15 -1.650241919424e-14 -1.377871893888e-14 ] [ 6.552902379072e-14 5.078899887936e-14 -3.893289188544e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }