{ "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" [ [ -7.082069273389825e-11 7.588071898124121e-10 1.961133397889219e-09 ] [ -4.561036029242596e-09 -4.557041802926941e-09 7.508539850667609e-10 ] [ -1.945922012616019e-10 4.859449756185024e-10 3.966672082129882e-10 ] [ 3.164467054625184e-10 -5.794744391226336e-10 -1.06967226440692e-08 ] [ 7.752900624518784e-10 -8.988830244169601e-09 7.939147568415625e-09 ] [ -2.731774104005197e-09 8.118269472662106e-09 -5.326964253263815e-09 ] [ 6.466486419546558e-09 4.762324848126156e-09 4.97588457753076e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.037392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889908776260496e-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" [ [ -4.021463318208e-14 -1.68228545184e-14 -4.229746278912e-14 ] [ -4.96674752448e-15 -8.379383726784e-14 2.259069035328e-14 ] [ 1.970677243584e-14 1.457980724928e-14 -1.089480102144e-14 ] [ -6.360641184576e-14 -1.313784829056e-13 -1.033403920416e-13 ] [ 4.8065298624e-16 -3.733071526464e-14 -3.412636202304e-14 ] [ 3.84522388992e-14 5.335248147264001e-14 -5.928053496960001e-15 ] [ 5.014812823104e-14 2.0139360123456e-13 1.7399638101888e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.073967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.376421723491071e-18 } }