{ "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" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7516256 -6.8742354 2.7147845 ] [ -7.0394503 5.6103328 -20.133411 ] [ -6.3350662 3.879218 22.878831 ] [ 8.242612 -8.6374433 -4.9869562 ] [ 8.8835301 6.0221279 -0.4732483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.010766826314773e-09 -1.101373924375574e-08 4.349564256410217e-09 ] [ -1.127844269394355e-08 8.988744047067402e-09 -3.225728040115755e-08 ] [ -1.01498949568603e-08 6.215192386586534e-09 3.665592813943429e-08 ] [ 1.320612024072553e-08 -1.38387097187456e-08 -7.989984632593609e-09 ] [ 1.423298423639309e-08 9.648512528847402e-09 -7.582273620933447e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 1.2870635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.062103049185021e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.3112041 0.858232 1.7937997 ] [ 0.7321023 0.5982507 -0.2649617 ] [ 1.2006395 1.8628837 3.242794 ] [ 2.8887418 1.4422268 -0.0883492 ] [ 3.1783153 2.223815 2.0795634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.112041e-11 8.58232e-11 1.7937997e-10 ] [ 7.321023e-11 5.982507e-11 -2.649617e-11 ] [ 1.2006395e-10 1.8628837e-10 3.242794e-10 ] [ 2.8887418e-10 1.4422268e-10 -8.83492e-12 ] [ 3.1783153e-10 2.223815e-10 2.0795634e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.06e-05 4.4e-06 4.5e-06 ] [ 1.2e-05 5.6e-06 3.1e-06 ] [ -3.5e-06 -1.5e-06 -4.4e-06 ] [ -9.6e-06 -3.2e-06 -4e-07 ] [ -9.5e-06 -5.3e-06 -2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.698307218048e-14 7.04957713152e-15 7.2097947936e-15 ] [ 1.92261194496e-14 8.972189076479999e-15 4.96674752448e-15 ] [ -5.6076181728e-15 -2.4032649312e-15 -7.04957713152e-15 ] [ -1.538089555968e-14 -5.126965186560001e-15 -6.408706483200001e-16 ] [ -1.52206778976e-14 -8.491536090240001e-15 -4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.437183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992656383121121e-18 } }