{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5440834 -2.3838305 -0.059705 ] [ -3.0523548 4.2487916 -2.9200851 ] [ 1.0955482 -0.1835464 3.0189063 ] [ -0.6043053 -0.223478 0.2902729 ] [ -0.0731763 -0.8624573 -0.5188835 ] [ 0.0104499 -0.4383606 1.5445221 ] [ -0.9202452 -0.1571188 -1.3550277 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.678247565645374e-09 -3.819317495049975e-09 -9.5657955144864e-11 ] [ -4.89041149894666e-09 6.807314568171425e-09 -4.67849207796643e-09 ] [ 1.755261712999523e-09 -2.940737509120051e-10 4.83682109424583e-09 ] [ -9.682038234855303e-10 -3.580512268631424e-10 4.650684540318163e-10 ] [ -1.17241357056647e-10 -1.381808922498292e-09 -8.313430126188769e-10 ] [ 1.674258546969792e-11 -7.023311047998605e-10 2.47459719892892e-09 ] [ -1.47439534484342e-09 -2.517320680481511e-10 -2.170993701476396e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.359215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.582341153244067e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0835052 1.4524607 1.962861 ] [ 1.3631302 3.2143555 2.135445 ] [ 2.1315973 2.0447711 4.0815273 ] [ 2.7292489 5.0252461 2.910106 ] [ 4.99959 2.7001015 2.682394 ] [ 3.5364003 3.7109413 1.0752214 ] [ 3.8122511 3.6464188 4.4842821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0835052e-10 1.4524607e-10 1.962861e-10 ] [ 1.3631302e-10 3.2143555e-10 2.135445e-10 ] [ 2.1315973e-10 2.0447711e-10 4.0815273e-10 ] [ 2.7292489e-10 5.025246100000001e-10 2.910106e-10 ] [ 4.999590000000001e-10 2.7001015e-10 2.682394e-10 ] [ 3.5364003e-10 3.7109413e-10 1.0752214e-10 ] [ 3.8122511e-10 3.6464188e-10 4.4842821e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.74e-05 -2.11e-05 1.68e-05 ] [ -3.37e-05 1.83e-05 6.8e-06 ] [ -2.7e-05 -1.54e-05 -7.8e-06 ] [ -1.24e-05 -1.4e-06 -4.4e-06 ] [ -1.37e-05 -6e-07 -4.07e-05 ] [ 3.59e-05 4.4e-06 -7.3e-06 ] [ 2.34e-05 1.58e-05 3.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.389963940992e-14 -3.380592669888e-14 2.691656722944e-14 ] [ -5.399335212096e-14 2.931983216064e-14 1.089480102144e-14 ] [ -4.32587687616e-14 -2.467351996032e-14 -1.249697764224e-14 ] [ -1.986699009792e-14 -2.24304726912e-15 -7.04957713152e-15 ] [ -2.194981970496e-14 -9.6130597248e-16 -6.520858846656e-14 ] [ 5.751814068672e-14 7.04957713152e-15 -1.169588933184e-14 ] [ 3.749093292672001e-14 2.531439060864e-14 5.879988198335999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }