{ "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" [ [ -0.0442028 0.4736102 1.2240432 ] [ -2.8467748 -2.8442818 0.4686462 ] [ -0.1214549 0.303303 0.2475802 ] [ 0.1975105 -0.3616795 -6.6763692 ] [ 0.483898 -5.6103866 4.9552262 ] [ -1.7050393 5.0670253 -3.3248296 ] [ 4.0360634 2.9724094 3.1057029 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.082069331737519e-11 7.588071960640666e-10 1.961133414046589e-09 ] [ -4.561036066820022e-09 -4.557041840471461e-09 7.508539912528908e-10 ] [ -1.945922028648066e-10 4.85944979622102e-10 3.966672114810468e-10 ] [ 3.16446708069657e-10 -5.79474443896803e-10 -1.069672273219727e-08 ] [ 7.752900688393319e-10 -8.988830318226704e-09 7.93914763382461e-09 ] [ -2.731774126511716e-09 8.11826953954684e-09 -5.326964297151566e-09 ] [ 6.466486472822594e-09 4.762324887361959e-09 4.975884618526037e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.037392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889908800069853e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5237088 1.1188553 1.9521127 ] [ 2.1428619 2.5833614 3.9762686 ] [ 1.2353782 3.1671032 1.8088897 ] [ 4.3810969 2.5772231 1.4398434 ] [ 4.3699267 1.5222989 3.6549784 ] [ 3.2204696 4.4361045 2.4776748 ] [ 4.8320659 3.7941706 4.0983333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5237088e-10 1.1188553e-10 1.9521127e-10 ] [ 2.1428619e-10 2.5833614e-10 3.9762686e-10 ] [ 1.2353782e-10 3.1671032e-10 1.8088897e-10 ] [ 4.3810969e-10 2.5772231e-10 1.4398434e-10 ] [ 4.3699267e-10 1.5222989e-10 3.6549784e-10 ] [ 3.2204696e-10 4.4361045e-10 2.4776748e-10 ] [ 4.8320659e-10 3.794170600000001e-10 4.0983333e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.51e-05 -1.05e-05 -2.64e-05 ] [ -3.1e-06 -5.23e-05 1.41e-05 ] [ 1.23e-05 9.1e-06 -6.8e-06 ] [ -3.97e-05 -8.2e-05 -6.45e-05 ] [ 3e-07 -2.33e-05 -2.13e-05 ] [ 2.4e-05 3.33e-05 -3.7e-06 ] [ 3.13e-05 0.0001257 0.0001086 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.02146335134e-14 -1.6822854657e-14 -4.22974631376e-14 ] [ -4.9667475654e-15 -8.379383795819998e-14 2.25906905394e-14 ] [ 1.97067725982e-14 1.45798073694e-14 -1.08948011112e-14 ] [ -6.36064123698e-14 -1.31378483988e-13 -1.03340392893e-13 ] [ 4.806529901999999e-16 -3.733071557219999e-14 -3.41263623042e-14 ] [ 3.8452239216e-14 5.33524819122e-14 -5.9280535458e-15 ] [ 5.014812864419999e-14 2.013936028938e-13 1.739963824524e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.073967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.376421751308708e-18 } }