{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.1028 0.2583089 1.436622 ] [ 0.0542075 1.282802 2.764068 ] [ 0.3917807 2.567162 0.7355983 ] [ 2.495357 1.268739 0.0869323 ] [ 2.96001 0.2024969 2.578704 ] [ 2.541972 2.542294 2.28683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1028e-10 2.583089e-11 1.436622e-10 ] [ 5.42075e-12 1.282802e-10 2.764068e-10 ] [ 3.917807e-11 2.567162e-10 7.355983000000001e-11 ] [ 2.495357e-10 1.268739e-10 8.693230000000001e-12 ] [ 2.96001e-10 2.024969e-11 2.578704e-10 ] [ 2.541972e-10 2.542294e-10 2.28683e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4278763 -203.2361059 -70.8826963 ] [ 30.9703673 128.5962954 22.9363713 ] [ -61.5596935 52.4196206 -6.8919665 ] [ 21.3789383 18.3978144 -22.5953599 ] [ 28.7614997 0.9306778 20.9268296 ] [ -21.9789881 2.8916977 56.5068218 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.889886646054407e-09 -3.25620137375413e-07 -1.135665988311267e-07 ] [ 4.961999842564882e-08 2.060339780113706e-07 3.67481178628481e-08 ] [ -9.862950170931373e-08 8.398549059652607e-08 -1.10421475976368e-08 ] [ 3.42528351217857e-08 2.947654810549758e-08 -3.620175737034183e-08 ] [ 4.608100239848621e-08 1.491110212657578e-09 3.352847713258542e-08 ] [ -3.521422088266141e-08 4.633010449361132e-09 9.053390880367177e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 44.949215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.201658139631267e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9423757 -0.6694634 1.542121 ] [ -0.2152681 1.5353809 2.7568404 ] [ 0.3899781 3.171926 0.4592941 ] [ 2.4086567 1.2453851 -0.1587892 ] [ 3.5418911 0.0977458 2.5306754 ] [ 2.4784937 2.7408284 2.7586128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.423757000000001e-11 -6.694634e-11 1.542121e-10 ] [ -2.152681e-11 1.5353809e-10 2.7568404e-10 ] [ 3.899781e-11 3.171926e-10 4.592941e-11 ] [ 2.4086567e-10 1.2453851e-10 -1.587892e-11 ] [ 3.5418911e-10 9.77458e-12 2.5306754e-10 ] [ 2.4784937e-10 2.7408284e-10 2.7586128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.5e-06 -1.07e-05 8.8e-06 ] [ 1.54e-05 -2.86e-05 -4.77e-05 ] [ 2.3e-06 2.3e-05 2.9e-06 ] [ -5.1e-05 1.64e-05 2.53e-05 ] [ 1.16e-05 -2.64e-05 2.74e-05 ] [ 1.82e-05 2.64e-05 -1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.6076181728e-15 -1.714328984256e-14 1.409915426304e-14 ] [ 2.467351996032e-14 -4.582225135488e-14 -7.642382481215999e-14 ] [ 3.68500622784e-15 3.68500622784e-14 4.646312200320001e-15 ] [ -8.17110076608e-14 2.627569658112e-14 4.053506850624e-14 ] [ 1.858524880128e-14 -4.229746278912e-14 4.389963940992e-14 ] [ 2.915961449856e-14 4.229746278912e-14 -2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.444463 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.474475753941063e-18 } }