{ "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" [ [ -2.1074366 -2.9694874 0.6286769 ] [ 0.2269636 -7.5075334 0.1432799 ] [ -1.6469362 -0.2786642 0.1502904 ] [ 0.8221584 1.6815205 -1.4885038 ] [ 4.8728953 2.6832254 1.5209577 ] [ -2.9056102 2.4736915 -7.4823711 ] [ 0.7379657 3.9172475 6.5276701 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.376485650338242e-09 -4.757643288040178e-09 1.007251431217019e-09 ] [ 3.636357736926029e-10 -1.202839449335513e-08 2.295597060105619e-10 ] [ -2.638682675589193e-09 -4.464692662939354e-10 2.407917652106803e-10 ] [ 1.317242967074335e-09 2.694092832495927e-09 -2.384845988331959e-09 ] [ 7.807238925266202e-09 4.299001004216729e-09 2.43684286816574e-09 ] [ -4.655300731598012e-09 3.963290688371683e-09 -1.198808004456958e-08 ] [ 1.182351391492306e-09 6.276122362387248e-09 1.04584804225152e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.394888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.786968287503447e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2516174 2.9268396 2.7265367 ] [ 4.7637135 1.201832 1.4076885 ] [ 5.0473641 2.4640565 4.4572329 ] [ 3.5549185 1.0536251 3.3806488 ] [ 5.4565287 3.4698976 2.2037671 ] [ 3.457156 3.0799674 0.7519525 ] [ 3.7406378 4.3420842 3.8015415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2516174e-10 2.9268396e-10 2.7265367e-10 ] [ 4.7637135e-10 1.201832e-10 1.4076885e-10 ] [ 5.047364100000001e-10 2.4640565e-10 4.4572329e-10 ] [ 3.5549185e-10 1.0536251e-10 3.3806488e-10 ] [ 5.4565287e-10 3.4698976e-10 2.2037671e-10 ] [ 3.457156e-10 3.0799674e-10 7.519525000000001e-11 ] [ 3.7406378e-10 4.3420842e-10 3.8015415e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.39e-05 8.64e-05 -1.02e-05 ] [ 2.82e-05 3.5e-05 5.6e-06 ] [ 0.0 -4.87e-05 4.61e-05 ] [ 2.51e-05 -6.19e-05 -1.2e-06 ] [ -2.02e-05 -7.6e-06 -3.29e-05 ] [ -3.03e-05 -3.12e-05 1.44e-05 ] [ -2.68e-05 2.8e-05 -2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.829202123712e-14 1.3842806003712e-13 -1.634220153216e-14 ] [ 4.518138070656001e-14 5.6076181728e-14 8.972189076479999e-15 ] [ 0.0 -7.802600143296e-14 7.386034221888001e-14 ] [ 4.021463318208e-14 -9.917473282752e-14 -1.92261194496e-15 ] [ -3.236396774016e-14 -1.217654231808e-14 -5.271161082432e-14 ] [ -4.854595161024e-14 -4.998791056896e-14 2.307134333952e-14 ] [ -4.293833343744e-14 4.48609453824e-14 -3.492745033344e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.303661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573440421244875e-18 } }