{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2381305 -0.5476219 0.2827036 ] [ 1.3821865 0.0781963 -1.6826267 ] [ -2.8644644 3.2067568 -2.2561978 ] [ -1.9642736 -1.3448146 1.1072433 ] [ 3.7816611 -6.1560508 -1.3662753 ] [ -2.0182723 0.8919085 6.1056363 ] [ 3.9212932 3.8716257 -2.1904834 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.585880361399414e-09 -8.773870052180755e-10 4.529410985359949e-10 ] [ 2.214506895885379e-09 1.25284283693063e-10 -2.695865160273856e-09 ] [ -4.5893778927939e-09 5.137790773551422e-09 -3.614827367060394e-09 ] [ -3.147113238774651e-09 -2.154630511430504e-09 1.77399932879744e-09 ] [ 6.058889002208811e-09 -9.863080668217136e-09 -2.189014343236507e-09 ] [ -3.233628693468244e-09 1.428994946592797e-09 9.782307734967815e-09 ] [ 6.282604288342019e-09 6.203028181028435e-09 -3.509541291730495e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.302346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.29148843837924e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5466022 0.3366276 2.7037445 ] [ 2.300247 1.4263831 1.4872359 ] [ 2.5643393 3.4524427 2.7400524 ] [ 2.0441513 0.1730596 4.5674295 ] [ 3.9051814 0.3547127 2.9903486 ] [ 2.365886 2.4812366 5.1269141 ] [ 4.6675968 2.4431038 3.903505 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.466022000000001e-11 3.366276000000001e-11 2.7037445e-10 ] [ 2.300247e-10 1.4263831e-10 1.4872359e-10 ] [ 2.5643393e-10 3.4524427e-10 2.7400524e-10 ] [ 2.0441513e-10 1.730596e-11 4.5674295e-10 ] [ 3.9051814e-10 3.547127e-11 2.9903486e-10 ] [ 2.365886e-10 2.4812366e-10 5.1269141e-10 ] [ 4.667596800000001e-10 2.4431038e-10 3.903505e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 -9e-06 -4.4e-06 ] [ 2.38e-05 4.3e-06 1.76e-05 ] [ 2.49e-05 -2.71e-05 -1.6e-06 ] [ -1e-06 1.98e-05 2.1e-05 ] [ -4.13e-05 4.35e-05 -9.5e-06 ] [ 2.05e-05 -3.6e-05 -1.68e-05 ] [ -3.1e-05 4.4e-06 -6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 -1.44195895872e-14 -7.04957713152e-15 ] [ 3.813180357504e-14 6.889359469440001e-15 2.819830852608e-14 ] [ 3.989419785791999e-14 -4.341898642368e-14 -2.56348259328e-15 ] [ -1.6021766208e-15 3.172309709184e-14 3.36457090368e-14 ] [ -6.616989443904001e-14 6.969468300480001e-14 -1.52206778976e-14 ] [ 3.28446207264e-14 -5.76783583488e-14 -2.691656722944e-14 ] [ -4.96674752448e-14 7.04957713152e-15 -1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }