{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.9182774 -6.1999985 -11.7325831 ] [ -10.9411104 -5.3856337 9.1004011 ] [ -10.0025965 15.3192478 -4.799932 ] [ 5.8612685 -2.3378616 -4.0521691 ] [ 9.9970598 -16.7215049 8.2580646 ] [ 6.5845549 9.4130335 -5.5396496 ] [ 6.4191011 5.9127174 8.7658681 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.268647892728901e-08 -9.93349264569507e-09 -1.879767034441319e-08 ] [ -1.752959128847174e-08 -8.6287364023326e-09 1.45804498823226e-08 ] [ -1.602592625959591e-08 2.454414067340183e-08 -7.690338831829786e-09 ] [ 9.390787358931486e-09 -3.745667198186082e-09 -6.492290595548178e-09 ] [ 1.601705548829953e-08 -2.679080421537264e-08 1.323087803517611e-08 ] [ 1.054961991915408e-08 1.50813422045072e-08 -8.875497076544071e-09 ] [ 1.028453370897156e-08 9.473217583677362e-09 1.404446893083652e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.0572963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.704858517118343e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9240148 2.4909525 1.866654 ] [ 1.8649253 1.6637666 4.1374878 ] [ 2.1281524 4.8944364 2.0278996 ] [ 4.3975674 2.3111043 1.8998707 ] [ 4.2685692 1.8356693 4.3307566 ] [ 4.5043197 4.729225 2.4413436 ] [ 4.7458202 4.1628099 4.7791357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9240148e-10 2.4909525e-10 1.866654e-10 ] [ 1.8649253e-10 1.6637666e-10 4.1374878e-10 ] [ 2.1281524e-10 4.8944364e-10 2.0278996e-10 ] [ 4.3975674e-10 2.3111043e-10 1.8998707e-10 ] [ 4.2685692e-10 1.8356693e-10 4.3307566e-10 ] [ 4.5043197e-10 4.729224999999999e-10 2.4413436e-10 ] [ 4.7458202e-10 4.1628099e-10 4.7791357e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.81e-05 -2.5e-05 -2.88e-05 ] [ -1.74e-05 4e-06 1.09e-05 ] [ -2.76e-05 1.65e-05 3.64e-05 ] [ 9.8e-06 -1.24e-05 -6.9e-06 ] [ -1.54e-05 -2.8e-06 -8.9e-06 ] [ 2.14e-05 -6.1e-06 -8.7e-06 ] [ 1.12e-05 2.58e-05 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.899939683648e-14 -4.005441552e-14 -4.614268667904e-14 ] [ -2.787787320192e-14 6.4087064832e-15 1.746372516672e-14 ] [ -4.422007473408001e-14 2.64359142432e-14 5.831922899712e-14 ] [ 1.570133088384e-14 -1.986699009792e-14 -1.105501868352e-14 ] [ -2.467351996032e-14 -4.48609453824e-15 -1.425937192512e-14 ] [ 3.428657968511999e-14 -9.77327738688e-15 -1.393893660096e-14 ] [ 1.794437815296e-14 4.133615681664e-14 9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }