{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.5497741 -0.9598647 3.7615913 ] [ 2.8374075 6.7572127 -3.6261554 ] [ 0.649917 0.6503492 -7.2270991 ] [ 5.6905875 -2.6727607 4.5415653 ] [ -4.3544248 4.0203115 7.2084323 ] [ -3.7592284 -2.5353226 -4.4826197 ] [ -5.6140328 -5.2599253 -0.1757147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.289541692941362e-09 -1.537872781471206e-09 6.026733637864679e-09 ] [ 4.546027960182576e-09 1.082624820971285e-08 -5.809741405267672e-09 ] [ 1.041281822860474e-09 1.041974283595983e-09 -1.157908921422472e-08 ] [ 9.11732625111672e-09 -4.282234706533043e-09 7.276389745496539e-09 ] [ -6.976557611591716e-09 6.44124909363338e-09 1.154918170367957e-08 ] [ -6.02294785472739e-09 -4.06203459590587e-09 -7.181948483277509e-09 ] [ -8.994672100564362e-09 -8.427329342814426e-09 -2.815259842708858e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.318705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.979115666953207e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3509797 1.3167202 2.6761143 ] [ 2.799939 0.1979415 3.9376867 ] [ 2.3853728 2.3261566 4.3422075 ] [ 2.1126991 3.3908149 2.4298886 ] [ 3.5159094 1.6898305 2.4794461 ] [ 4.4571632 1.5805949 4.4711572 ] [ 4.0324218 3.5539001 3.5392917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3509797e-10 1.3167202e-10 2.6761143e-10 ] [ 2.799939e-10 1.979415e-11 3.9376867e-10 ] [ 2.3853728e-10 2.3261566e-10 4.3422075e-10 ] [ 2.1126991e-10 3.3908149e-10 2.4298886e-10 ] [ 3.5159094e-10 1.6898305e-10 2.4794461e-10 ] [ 4.4571632e-10 1.5805949e-10 4.471157200000001e-10 ] [ 4.0324218e-10 3.5539001e-10 3.5392917e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 -4.3e-05 -7.15e-05 ] [ 2.86e-05 1.26e-05 -6.1e-05 ] [ -4.34e-05 7.85e-05 5.88e-05 ] [ -5.52e-05 -1.15e-05 3.7e-05 ] [ -4.08e-05 -9.8e-06 6.73e-05 ] [ 6.8e-06 -1.06e-05 2.16e-05 ] [ 8.79e-05 -1.62e-05 -5.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-14 -6.889359469439999e-14 -1.145556283872e-13 ] [ 4.582225135488e-14 2.018742542208e-14 -9.773277386880001e-14 ] [ -6.953446534272e-14 1.257708647328e-13 9.420798530304e-14 ] [ -8.844014946816001e-14 -1.84250311392e-14 5.92805349696e-14 ] [ -6.536880612864e-14 -1.570133088384e-14 1.0782648657984e-13 ] [ 1.089480102144e-14 -1.698307218048e-14 3.460701500928e-14 ] [ 1.4083132496832e-13 -2.595526125696e-14 -8.347340194367999e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }