{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5903695 -2.9082939 -0.2803504 ] [ 1.0980471 -5.200223 0.7419224 ] [ -1.6036704 -0.7629112 -0.8897155 ] [ 0.9024222 3.7349705 -2.214746 ] [ 1.3796997 0.9887142 1.1658331 ] [ -2.4474958 1.3842804 -2.8979649 ] [ 1.2613666 2.763463 4.3750213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.458762183262629e-10 -4.659600531384732e-09 -4.491708602125535e-10 ] [ 1.759265406651461e-09 -8.331675782189381e-09 1.188690733521201e-09 ] [ -2.569363243517433e-09 -1.222318498456901e-09 -1.425481385007627e-09 ] [ 1.445839762842875e-09 5.984082463779297e-09 -3.548414291444963e-09 ] [ 2.210522621276809e-09 1.584094788944003e-09 1.867870551963785e-09 ] [ -3.921320582573137e-09 2.217861711784174e-09 -4.643051648932146e-09 ] [ 2.020932093428024e-09 4.427555847523541e-09 7.009556900112304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.982265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.323035451539601e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0247712 2.5979277 2.4744804 ] [ 4.6432496 1.4647757 1.8501117 ] [ 5.5033208 2.0341402 3.9694454 ] [ 3.3481119 1.2489432 3.7990696 ] [ 5.5834942 3.626098 2.3036221 ] [ 3.6188865 3.4432698 1.0457576 ] [ 3.5501017 4.1231477 3.2868812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0247712e-10 2.5979277e-10 2.4744804e-10 ] [ 4.6432496e-10 1.4647757e-10 1.8501117e-10 ] [ 5.503320800000001e-10 2.0341402e-10 3.9694454e-10 ] [ 3.3481119e-10 1.2489432e-10 3.7990696e-10 ] [ 5.583494199999999e-10 3.626098e-10 2.3036221e-10 ] [ 3.6188865e-10 3.4432698e-10 1.0457576e-10 ] [ 3.5501017e-10 4.1231477e-10 3.2868812e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 3.9e-06 2.24e-05 ] [ 1.08e-05 1e-05 2.5e-06 ] [ 1.81e-05 -1.78e-05 -1.1e-06 ] [ -2.06e-05 2.2e-06 -6.2e-06 ] [ 5.7e-06 1.33e-05 2.15e-05 ] [ -1.38e-05 -1.01e-05 -1.82e-05 ] [ -2.2e-06 -1.6e-06 -2.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.204353268e-15 6.248488872599999e-15 3.588875660159999e-14 ] [ 1.73035076472e-14 1.602176634e-14 4.005441585e-15 ] [ 2.899939707539999e-14 -2.851874408519999e-14 -1.7623942974e-15 ] [ -3.300483866039999e-14 3.5247885948e-15 -9.9334951308e-15 ] [ 9.1324068138e-15 2.13089492322e-14 3.4446797631e-14 ] [ -2.21100375492e-14 -1.61819840034e-14 -2.915961473879999e-14 ] [ -3.5247885948e-15 -2.5634826144e-15 -3.332527398719999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.127189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.826907826390182e-18 } }