{ "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" [ [ -5.1833059 -5.3615842 -1.2852071 ] [ 0.0428095 -11.4012923 0.2976764 ] [ -0.0703123 -0.9942154 2.2667874 ] [ 0.1288071 0.710983 -0.4699425 ] [ 7.0758318 4.6917335 0.6603945 ] [ -4.6068424 5.2845586 -12.1972766 ] [ 2.6130123 7.0698167 10.7275679 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.304571531434703e-09 -8.590204855690671e-09 -2.059128768506168e-09 ] [ 6.85883800481376e-11 -1.826688396996706e-08 4.769301686439091e-10 ] [ -1.126527232146758e-10 -1.59290866991932e-09 3.631793776604018e-09 ] [ 2.063717242130477e-10 1.139120340386246e-09 -7.529308866203039e-10 ] [ 1.133673228267318e-08 7.516985724724156e-09 1.058068628404906e-09 ] [ -7.380975188990162e-09 8.46679624016758e-09 -1.954219140595091e-08 ] [ 4.186507216922835e-09 1.132709503008141e-08 1.718745848742455e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9843624 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.599671201087458e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7047434 2.7619745 2.724308 ] [ 4.9586029 1.2685405 1.6917556 ] [ 5.565971 1.9741254 4.1600486 ] [ 3.2697342 1.0860303 3.5787919 ] [ 5.7559413 3.7214537 2.3122671 ] [ 3.5105305 3.2545784 0.9667784 ] [ 3.5064128 4.4715995 3.2954185 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7047434e-10 2.7619745e-10 2.724308e-10 ] [ 4.9586029e-10 1.2685405e-10 1.6917556e-10 ] [ 5.565971e-10 1.9741254e-10 4.1600486e-10 ] [ 3.2697342e-10 1.0860303e-10 3.5787919e-10 ] [ 5.7559413e-10 3.7214537e-10 2.3122671e-10 ] [ 3.5105305e-10 3.2545784e-10 9.667784e-11 ] [ 3.5064128e-10 4.4715995e-10 3.2954185e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-07 -1e-07 -3e-07 ] [ -8.5e-06 3.6e-06 5.5e-06 ] [ 1.09e-05 -3.5e-06 4.7e-06 ] [ -4e-06 -6.7e-06 -4.7e-06 ] [ 1.5e-06 7.7e-06 4.9e-06 ] [ -4.3e-06 -4.8e-06 -8.1e-06 ] [ 4e-06 3.8e-06 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706483200001e-16 -1.6021766208e-16 -4.8065298624e-16 ] [ -1.36185012768e-14 5.76783583488e-15 8.8119714144e-15 ] [ 1.746372516672e-14 -5.6076181728e-15 7.53023011776e-15 ] [ -6.4087064832e-15 -1.073458335936e-14 -7.53023011776e-15 ] [ 2.4032649312e-15 1.233675998016e-14 7.850665441919999e-15 ] [ -6.889359469440001e-15 -7.69044777984e-15 -1.297763062848e-14 ] [ 6.4087064832e-15 6.08827115904e-15 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.148271 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.747455888334264e-18 } }