{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.0764759 -5.9975342 2.6798346 ] [ 4.6048937 -4.0869568 -4.7876309 ] [ 7.0055114 -15.0841291 7.5659288 ] [ 6.7650325 8.9960833 0.8744577 ] [ -7.3270566 4.6052599 -18.171253 ] [ 3.4264636 0.1291192 9.8815304 ] [ -3.3983687 11.4381578 1.9571324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.774647087404412e-08 -9.60910915685588e-09 4.293568379104736e-09 ] [ 7.377853088193804e-09 -6.548026689127411e-09 -7.67063036019639e-09 ] [ 1.122406667430062e-08 -2.416743918825945e-08 1.212195433786766e-08 ] [ 1.08387769997506e-08 1.441331446077761e-08 1.401035694361382e-09 ] [ -1.173923888051548e-08 7.378439805277175e-09 -2.91135569671024e-08 ] [ 5.489799917171522e-09 2.068717652407727e-10 1.583195711504067e-08 ] [ -5.444786924856955e-09 1.832594916316485e-08 3.135671800924342e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8413722 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.096108668333717e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4605189 2.1810374 2.6932527 ] [ 6.0835857 2.1234126 2.0240637 ] [ 4.5332285 1.3071637 3.5927664 ] [ 5.1585197 4.2191565 1.5048253 ] [ 2.7380805 3.9476588 0.9464729 ] [ 4.4458953 3.1029243 5.1629314 ] [ 3.4770803 4.4671017 3.4286706 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4605189e-10 2.1810374e-10 2.6932527e-10 ] [ 6.083585700000001e-10 2.1234126e-10 2.0240637e-10 ] [ 4.5332285e-10 1.3071637e-10 3.5927664e-10 ] [ 5.1585197e-10 4.2191565e-10 1.5048253e-10 ] [ 2.7380805e-10 3.9476588e-10 9.464729e-11 ] [ 4.4458953e-10 3.1029243e-10 5.1629314e-10 ] [ 3.4770803e-10 4.4671017e-10 3.4286706e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 -4.5e-06 3.4e-06 ] [ -4.4e-06 9.1e-06 -2.2e-06 ] [ -3.9e-06 -9.1e-06 4.3e-06 ] [ 6.8e-06 2.1e-06 -4.8e-06 ] [ 4.3e-06 -7.6e-06 6.2e-06 ] [ -6.3e-06 -2.7e-06 -1.29e-05 ] [ 2.6e-06 1.27e-05 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-15 -7.209794853e-15 5.4474005556e-15 ] [ -7.0495771896e-15 1.45798073694e-14 -3.5247885948e-15 ] [ -6.248488872599999e-15 -1.45798073694e-14 6.8893595262e-15 ] [ 1.08948011112e-14 3.364570931399999e-15 -7.690447843199998e-15 ] [ 6.8893595262e-15 -1.21765424184e-14 9.9334951308e-15 ] [ -1.00937127942e-14 -4.3258769118e-15 -2.06680785786e-14 ] [ 4.165659248399999e-15 2.03476432518e-14 9.613059803999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.639711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.826193279471277e-18 } }