{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8562862 -2.5160329 -6.6778642 ] [ 0.3414253 -0.0884704 -0.8556661 ] [ -5.2888229 -2.7444359 1.9209201 ] [ -1.2728374 0.7889592 -0.5385056 ] [ 6.8901269 -3.6920353 4.8801489 ] [ 1.3138024 4.5870105 -1.7637378 ] [ 0.8725919 3.6650047 3.0347048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.576274971953674e-09 -4.031129089543624e-09 -1.06991178981173e-08 ] [ 5.470236334096262e-10 -1.417452065128243e-10 -1.370928220631115e-09 ] [ -8.473628401931656e-09 -4.397071036264207e-09 3.077653274644798e-09 ] [ -2.039310324359858e-09 1.264051985005071e-09 -8.627810824898766e-10 ] [ 1.103920023352518e-08 -5.915292640828315e-09 7.818860473602838e-09 ] [ 2.10494348963093e-09 7.349200982464118e-09 -2.825819468381226e-09 ] [ 1.398046341679452e-09 5.871984845462117e-09 4.86213308158954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.48153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.800849866181382e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0181607 1.6015602 1.5634128 ] [ 1.440248 2.9556369 4.5442924 ] [ 1.8274669 0.8878735 3.5818824 ] [ 0.9104504 4.3277393 2.7706462 ] [ 4.2486159 1.2587677 3.6546403 ] [ 2.9991018 3.8900177 1.9016743 ] [ 3.7333814 3.4611157 4.1294396 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0181607e-10 1.6015602e-10 1.5634128e-10 ] [ 1.440248e-10 2.9556369e-10 4.5442924e-10 ] [ 1.8274669e-10 8.878735e-11 3.5818824e-10 ] [ 9.104504e-11 4.3277393e-10 2.7706462e-10 ] [ 4.2486159e-10 1.2587677e-10 3.6546403e-10 ] [ 2.9991018e-10 3.8900177e-10 1.9016743e-10 ] [ 3.7333814e-10 3.4611157e-10 4.1294396e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.39e-05 2.67e-05 -1.49e-05 ] [ -2e-07 7e-07 -5.1e-06 ] [ -1.21e-05 -2.26e-05 1.47e-05 ] [ 4.56e-05 -2.28e-05 7.4e-06 ] [ 1.34e-05 -2.12e-05 2.1e-05 ] [ -1.51e-05 2.07e-05 -3.22e-05 ] [ -1.76e-05 1.85e-05 9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.227025502912e-14 4.277811577536e-14 -2.387243164992e-14 ] [ -3.2043532416e-16 1.12152363456e-15 -8.17110076608e-15 ] [ -1.938633711168e-14 -3.620919163008e-14 2.355199632576e-14 ] [ 7.305925390848e-14 -3.652962695424e-14 1.185610699392e-14 ] [ 2.146916671872e-14 -3.396614436096001e-14 3.36457090368e-14 ] [ -2.419286697408e-14 3.316505605055999e-14 -5.159008718975999e-14 ] [ -2.819830852608e-14 2.96402674848e-14 1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }