{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1545.3574029 -202.5703587 -460.6848919 ] [ 1309.3763882 576.7969854 -1165.1595895 ] [ -1059.7395684 -34.3916983 3361.0904326 ] [ 111.1298485 -29.532859 -227.3094789 ] [ 1338.3714131 298.7597795 530.5159162 ] [ -153.7806784 -609.061849 -2038.4523885 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.475935501706586e-06 -3.245534927762099e-07 -7.380985633579553e-07 ] [ 2.097852237001585e-06 9.24130644955799e-07 -1.866791453797825e-06 ] [ -1.697889960627163e-06 -5.510157496586711e-08 5.385060511506278e-06 ] [ 1.780496451397459e-07 -4.731685623518287e-08 -3.641899327798109e-07 ] [ 2.144307388015879e-06 4.786659339502631e-07 8.49980197897932e-07 ] [ -2.463838076632436e-07 -9.7582465508902e-07 -3.265960759468619e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 1182.6347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.894789667286822e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.4329135 -0.1930981 2.3810382 ] [ 0.3613887 1.5829345 -0.2503222 ] [ 0.153002 2.4693832 3.3739579 ] [ 2.2700247 -0.5741437 -0.0750548 ] [ 3.34548 1.0324112 2.0671316 ] [ 1.9103435 3.300447 1.308518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.329135e-11 -1.930981e-11 2.3810382e-10 ] [ 3.613887e-11 1.5829345e-10 -2.503222e-11 ] [ 1.53002e-11 2.4693832e-10 3.3739579e-10 ] [ 2.2700247e-10 -5.741437000000001e-11 -7.50548e-12 ] [ 3.34548e-10 1.0324112e-10 2.0671316e-10 ] [ 1.9103435e-10 3.300447e-10 1.308518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -3.1e-06 -3.5e-06 ] [ 3.6e-06 -1.57e-05 -4.4e-06 ] [ -1.02e-05 1.65e-05 1.58e-05 ] [ -4.6e-06 1e-06 -1.56e-05 ] [ 8.8e-06 5.5e-06 3.9e-06 ] [ 4.7e-06 -4.2e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -4.96674752448e-15 -5.6076181728e-15 ] [ 5.76783583488e-15 -2.515417294656e-14 -7.04957713152e-15 ] [ -1.634220153216e-14 2.64359142432e-14 2.531439060864e-14 ] [ -7.370012455680001e-15 1.6021766208e-15 -2.499395528448e-14 ] [ 1.409915426304e-14 8.8119714144e-15 6.24848882112e-15 ] [ 7.53023011776e-15 -6.72914180736e-15 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }