{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6424486 -3.4253072 -13.325963 ] [ -4.0134404 -11.3060498 4.3572367 ] [ 0.7894819 -4.4877116 -0.6379156 ] [ -1.3935617 3.0604159 -0.28937 ] [ -8.7440692 9.1712053 -1.6205421 ] [ 3.7471859 -6.5206247 5.6161012 ] [ 7.9719549 13.5080721 5.9004528 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.631492747785691e-09 -5.48794711489791e-09 -2.135054636824583e-08 ] [ -6.4302403778542e-09 -1.811428866316052e-08 6.981062772031743e-09 ] [ 1.264889442724763e-09 -7.190106606412961e-09 -1.022053460363605e-09 ] [ -2.232731975382304e-09 4.903326804904591e-09 -4.636218487608961e-10 ] [ -1.400954324289736e-08 1.469389071621705e-08 -2.596394665642136e-09 ] [ 6.003653642771407e-09 -1.044719244735101e-08 8.997986042686825e-09 ] [ 1.2772479762852e-08 2.164231731070076e-08 9.453567528293899e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9822058 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.118672689437416e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9587441 0.2281115 3.1985286 ] [ 2.0167431 1.0987755 4.9900503 ] [ 3.7328784 5.0816834 2.601929 ] [ 1.8737659 3.2184364 5.5744881 ] [ 3.9904758 1.2622127 1.5489423 ] [ 4.3350281 3.4222404 1.2833562 ] [ 2.6375206 4.9909971 4.5116251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9587441e-10 2.281115e-11 3.1985286e-10 ] [ 2.0167431e-10 1.0987755e-10 4.9900503e-10 ] [ 3.7328784e-10 5.081683400000001e-10 2.601929e-10 ] [ 1.8737659e-10 3.2184364e-10 5.5744881e-10 ] [ 3.9904758e-10 1.2622127e-10 1.5489423e-10 ] [ 4.3350281e-10 3.4222404e-10 1.2833562e-10 ] [ 2.6375206e-10 4.9909971e-10 4.5116251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.8e-06 0.0002192 3.83e-05 ] [ -2.71e-05 -3.8e-06 5.01e-05 ] [ -4.32e-05 5.88e-05 7.13e-05 ] [ 6.3e-05 -9.56e-05 -0.0001519 ] [ 3.59e-05 -3.29e-05 -8.85e-05 ] [ -8.6e-05 -0.0001278 0.0001416 ] [ 4.86e-05 -1.79e-05 -6.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.409915426304e-14 3.5119711527936e-13 6.136336457664001e-14 ] [ -4.341898642368e-14 -6.08827115904e-15 8.026904870208e-14 ] [ -6.921403001856e-14 9.420798530304e-14 1.1423519306304e-13 ] [ 1.009371271104e-13 -1.5316808494848e-13 -2.4337062869952e-13 ] [ 5.751814068672e-14 -5.271161082432e-14 -1.417926309408e-13 ] [ -1.377871893888e-13 -2.0475817213824e-13 2.2686820950528e-13 ] [ 7.786578377088e-14 -2.867896151232001e-14 -9.757255620672e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.217225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.918721199085328e-18 } }