{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.1023568 -16.7172314 1.2148508 ] [ -1.5337313 1.4313599 0.4295936 ] [ 33.0633674 -31.405749 -29.2736566 ] [ 21.313986 3.3340641 40.8021946 ] [ -31.7412653 43.3575564 -13.1729824 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.38097027087399e-08 -2.678395731358365e-08 1.946405549520177e-09 ] [ -2.457308431449191e-09 2.293291367730626e-09 6.882848223653069e-10 ] [ 5.297335425320088e-08 -5.031755680651298e-08 -4.690156820984762e-08 ] [ 3.414877006525851e-08 5.341759553268594e-09 6.537232226545201e-08 ] [ -5.08551131782703e-08 6.946646319909742e-08 -2.110544442748987e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.091131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.898518713203013e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5420853 0.5087196 2.8297971 ] [ -0.220956 2.1661521 1.3926945 ] [ 3.1967719 1.111926 0.2390479 ] [ 2.6543594 -0.1428264 2.1168019 ] [ 1.4197281 2.5389561 -0.2084774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.420853e-11 5.087196000000001e-11 2.8297971e-10 ] [ -2.20956e-11 2.1661521e-10 1.3926945e-10 ] [ 3.1967719e-10 1.111926e-10 2.390479e-11 ] [ 2.6543594e-10 -1.428264e-11 2.1168019e-10 ] [ 1.4197281e-10 2.5389561e-10 -2.084774e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 6.3e-06 -7.8e-06 ] [ -9e-07 2e-07 1e-07 ] [ -2.1e-06 4.3e-06 -3.3e-06 ] [ 1.4e-06 -3.3e-06 2.5e-06 ] [ 7e-07 -7.6e-06 8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 1.009371271104e-14 -1.249697764224e-14 ] [ -1.44195895872e-15 3.2043532416e-16 1.6021766208e-16 ] [ -3.36457090368e-15 6.889359469440001e-15 -5.28718284864e-15 ] [ 2.24304726912e-15 -5.28718284864e-15 4.005441552e-15 ] [ 1.12152363456e-15 -1.217654231808e-14 1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.437183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992656383121121e-18 } }