{ "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" [ [ 1.825241 1.571351 1.750599 ] [ 0.5622357 3.903382 1.066374 ] [ 3.055372 3.197946 1.429481 ] [ 3.763641 1.041333 1.110804 ] [ 3.309317 1.461591 3.355414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.825241e-10 1.571351e-10 1.750599e-10 ] [ 5.622357e-11 3.903382e-10 1.066374e-10 ] [ 3.055372e-10 3.197946e-10 1.429481e-10 ] [ 3.763641e-10 1.041333e-10 1.110804e-10 ] [ 3.309317e-10 1.461591e-10 3.355414e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.7202488 -3.8914799 -0.3080754 ] [ 2.4041664 -2.8047368 0.8698844 ] [ 4.1527423 13.0535512 -2.5029207 ] [ 8.3256004 -5.5642578 -5.4021128 ] [ 2.8377397 -0.7930766 7.3432246 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.839096857602654e-08 -6.234838167460657e-09 -4.935912073902036e-10 ] [ 3.851899230327897e-09 -4.49368376547993e-09 1.393708459961109e-09 ] [ 6.653426680083417e-09 2.091409472336266e-08 -4.010121062294924e-09 ] [ 1.333908242490105e-08 -8.914923832712243e-09 -8.655138902392316e-09 ] [ 4.54656024071417e-09 -1.270648797492164e-09 1.176514287233399e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6423142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.437807338926403e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3002075 1.291267 1.7637495 ] [ 0.9457167 3.5759177 1.1221427 ] [ 3.304027 3.5251323 1.5611709 ] [ 3.7075512 1.0774258 0.8897661 ] [ 3.2583044 1.7058603 3.3758428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3002075e-10 1.291267e-10 1.7637495e-10 ] [ 9.457167e-11 3.5759177e-10 1.1221427e-10 ] [ 3.304027e-10 3.5251323e-10 1.5611709e-10 ] [ 3.7075512e-10 1.0774258e-10 8.897661000000001e-11 ] [ 3.2583044e-10 1.7058603e-10 3.3758428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 -1.44e-05 -7.3e-06 ] [ -1.85e-05 1.84e-05 9e-06 ] [ 1.36e-05 -7e-06 -9.7e-06 ] [ 3.6e-06 1.4e-06 1.8e-05 ] [ -3.1e-06 1.6e-06 -1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.0495771896e-15 -2.30713435296e-14 -1.16958894282e-14 ] [ -2.9640267729e-14 2.94800500656e-14 1.4419589706e-14 ] [ 2.17896022224e-14 -1.1215236438e-14 -1.55411133498e-14 ] [ 5.767835882399999e-15 2.2430472876e-15 2.8839179412e-14 ] [ -4.9667475654e-15 2.5634826144e-15 -1.602176634e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }