{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3706942 -0.3833007 0.3457234 ] [ 1.2069133 -0.2236509 -0.160254 ] [ 3.4396321 2.3609066 -1.679569 ] [ -1.1562491 -2.7065583 -0.0368452 ] [ 0.1626794 -0.9268307 -0.0617481 ] [ 0.4877789 2.2463355 1.6095361 ] [ -1.7700604 -0.3669015 -0.0168432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.798270822306159e-09 -6.141154202762745e-10 5.539099487434868e-10 ] [ 1.933688272592577e-09 -3.583282432008787e-10 -2.567552121896832e-10 ] [ 5.510898134773208e-09 3.782589358412417e-09 -2.690966184820435e-09 ] [ -1.852515275841041e-09 -4.336384431092193e-09 -5.903251802870016e-11 ] [ 2.606411313657715e-10 -1.484946478979699e-09 -9.893136219882048e-11 ] [ 7.815079496995412e-10 3.599026220573078e-09 2.578761109753611e-09 ] [ -2.835949390283896e-09 -5.878410054364511e-10 -2.698578125945856e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.107185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.061308509630045e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6441588 1.6839454 1.3662962 ] [ 2.342312 4.0096884 2.0088689 ] [ 4.6768117 3.2357773 1.2904648 ] [ 4.7312872 0.8336905 2.3788265 ] [ 4.5969821 1.0341561 4.8014689 ] [ 5.7816193 2.8223029 3.649694 ] [ 4.2574128 4.7383434 3.3182733 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6441588e-10 1.6839454e-10 1.3662962e-10 ] [ 2.342312e-10 4.0096884e-10 2.0088689e-10 ] [ 4.6768117e-10 3.2357773e-10 1.2904648e-10 ] [ 4.7312872e-10 8.336905e-11 2.3788265e-10 ] [ 4.5969821e-10 1.0341561e-10 4.801468899999999e-10 ] [ 5.7816193e-10 2.8223029e-10 3.649694e-10 ] [ 4.2574128e-10 4.7383434e-10 3.3182733e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.31e-05 8.8e-06 -3.3e-06 ] [ 2.1e-06 -4.1e-06 -2.1e-06 ] [ 4.4e-06 -3.5e-06 1e-06 ] [ 1.74e-05 1.17e-05 8.1e-06 ] [ -2.8e-06 -5.5e-06 9.9e-06 ] [ 3e-06 -1.78e-05 -1.48e-05 ] [ -1.09e-05 1.05e-05 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.098851373248e-14 1.409915426304e-14 -5.28718284864e-15 ] [ 3.36457090368e-15 -6.568924145279999e-15 -3.36457090368e-15 ] [ 7.04957713152e-15 -5.6076181728e-15 1.6021766208e-15 ] [ 2.787787320192e-14 1.874546646336e-14 1.297763062848e-14 ] [ -4.48609453824e-15 -8.8119714144e-15 1.586154854592e-14 ] [ 4.8065298624e-15 -2.851874385024e-14 -2.371221398784e-14 ] [ -1.746372516672e-14 1.68228545184e-14 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.826445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.496981989417705e-18 } }