{ "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" [ [ 0.4013394 1.6216061 0.9190744 ] [ -0.9226144 -1.3867254 -0.94345 ] [ 1.1337808 -0.5421099 1.1296299 ] [ 0.0112273 2.3561314 -0.7933761 ] [ -0.8997731 -3.6424066 3.7808141 ] [ -1.840859 1.6826479 -2.7780998 ] [ 2.1168989 -0.0891435 -1.3145925 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.430166036858995e-10 2.598099381566667e-09 1.472519516455787e-09 ] [ -1.47819122169342e-09 -2.221779015349528e-09 -1.51157353289376e-09 ] [ 1.816517090871921e-09 -8.68555807684226e-10 1.809866615936642e-09 ] [ 1.798811757470784e-11 3.774938644612774e-09 -1.271128638921483e-09 ] [ -1.441595424844741e-09 -5.835778697967618e-09 6.057531958610993e-09 ] [ -2.949381251989267e-09 2.695899126418216e-09 -4.451006549809156e-09 ] [ 3.391645926177237e-09 -1.428236315962848e-10 -2.106209369379024e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.103445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.342450592213866e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.629561 1.1803171 1.9929422 ] [ 2.0556899 2.5319063 3.8718415 ] [ 1.3843832 3.1157255 1.6909417 ] [ 4.343325 2.7647052 1.6630033 ] [ 4.1916824 1.5412796 3.7016781 ] [ 3.0358074 4.3751724 2.7717513 ] [ 5.0650591 3.6900108 3.7159429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.629561e-10 1.1803171e-10 1.9929422e-10 ] [ 2.0556899e-10 2.5319063e-10 3.8718415e-10 ] [ 1.3843832e-10 3.1157255e-10 1.6909417e-10 ] [ 4.343325e-10 2.7647052e-10 1.6630033e-10 ] [ 4.1916824e-10 1.5412796e-10 3.7016781e-10 ] [ 3.0358074e-10 4.375172400000001e-10 2.7717513e-10 ] [ 5.0650591e-10 3.6900108e-10 3.7159429e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.19e-05 -7.57e-05 -2.45e-05 ] [ 4.54e-05 2.62e-05 -6.43e-05 ] [ 1.22e-05 1.73e-05 -1.25e-05 ] [ -7.18e-05 -4.96e-05 3.91e-05 ] [ -3.03e-05 5.37e-05 3.3e-06 ] [ -1.79e-05 3.75e-05 9.52e-05 ] [ 2.05e-05 -9.5e-06 -3.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.713120041152e-14 -1.2128477019456e-13 -3.92533272096e-14 ] [ 7.273881858432e-14 4.197702746496e-14 -1.0301995671744e-13 ] [ 1.954655477376e-14 2.771765553984e-14 -2.002720776e-14 ] [ -1.1503628137344e-13 -7.946796039168e-14 6.264510587328001e-14 ] [ -4.854595161024e-14 8.603688453696e-14 5.28718284864e-15 ] [ -2.867896151232001e-14 6.008162327999999e-14 1.5252721430016e-13 ] [ 3.28446207264e-14 -1.52206778976e-14 -5.831922899712e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856431896302086e-18 } }