{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3608886 -1.4586883 -1.543339 ] [ -1.8298555 -9.3641124 6.1598738 ] [ -8.7331591 2.2451329 -3.26508 ] [ -0.4140405 -0.954668 -4.682568 ] [ 1.7801992 0.1864096 4.3317225 ] [ 4.6267913 4.0605907 -7.7864962 ] [ 4.209176 5.2853356 6.785887 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.782072776332428e-10 -2.337076291294496e-09 -2.472701663768851e-09 ] [ -2.931751701542294e-09 -1.500296196182338e-08 9.869205789438454e-09 ] [ -1.399206333574677e-08 3.597099442968905e-09 -5.231234841041665e-09 ] [ -6.633660091643424e-10 -1.529546750225894e-09 -7.502300974906215e-09 ] [ 2.852193538606863e-09 2.986611030126797e-10 6.940184517293328e-09 ] [ 7.412936850180839e-09 6.505783486177906e-09 -1.247534216958804e-08 ] [ 6.743843380032462e-09 8.46804113140194e-09 1.087218950279065e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.9942913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.441044324152484e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8032604 2.1257978 1.4701049 ] [ 2.8345976 2.2250952 3.8568183 ] [ 2.0535471 4.215816 2.5885944 ] [ 4.9542691 2.8904613 1.4555777 ] [ 4.9844136 2.9859885 3.7514917 ] [ 4.0573672 4.9863395 1.3346995 ] [ 4.08863 5.0856218 3.7214135 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8032604e-10 2.1257978e-10 1.4701049e-10 ] [ 2.8345976e-10 2.2250952e-10 3.8568183e-10 ] [ 2.0535471e-10 4.215816000000001e-10 2.5885944e-10 ] [ 4.9542691e-10 2.8904613e-10 1.4555777e-10 ] [ 4.9844136e-10 2.9859885e-10 3.7514917e-10 ] [ 4.0573672e-10 4.9863395e-10 1.3346995e-10 ] [ 4.08863e-10 5.0856218e-10 3.7214135e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.5e-06 8.2e-06 2.92e-05 ] [ -3.02e-05 7e-06 -2.04e-05 ] [ 2.66e-05 -1.89e-05 2.43e-05 ] [ 2.37e-05 4.3e-06 -9.6e-06 ] [ -2.21e-05 2.3e-05 6.7e-06 ] [ -1.56e-05 1.56e-05 -4e-07 ] [ 1.21e-05 -3.92e-05 -2.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.8119714144e-15 1.313784829056e-14 4.678355732736e-14 ] [ -4.838573394816e-14 1.12152363456e-14 -3.268440306432e-14 ] [ 4.261789811328e-14 -3.028113813312e-14 3.893289188544e-14 ] [ 3.797158591296e-14 6.889359469440001e-15 -1.538089555968e-14 ] [ -3.540810331968e-14 3.68500622784e-14 1.073458335936e-14 ] [ -2.499395528448e-14 2.499395528448e-14 -6.408706483200001e-16 ] [ 1.938633711168e-14 -6.280532353535999e-14 -4.790508096192e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }