{ "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" [ [ -7.8384504 -0.2706396 -0.4888858 ] [ 3.8383684 -2.8767979 1.0126147 ] [ -0.587615 5.1796638 -0.9334032 ] [ 3.4222914 -2.0591163 -2.064078 ] [ 1.1654057 0.0268899 2.4737523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.255858197418041e-08 -4.336124397826636e-10 -7.832813990011046e-10 ] [ 6.149744112497502e-09 -4.609138338146537e-09 1.622387598218406e-09 ] [ -9.41463015031392e-10 8.298736243964088e-09 -1.495476784819906e-09 ] [ 5.483115270644902e-09 -3.299067995368199e-09 -3.307017515107622e-09 ] [ 1.867185766287059e-09 4.308236911564992e-11 3.963388100710228e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.469508 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.158053081127857e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3063251 1.0139716 1.5156755 ] [ 1.217939 3.385163 1.7666795 ] [ 3.5481511 3.5243998 1.2725954 ] [ 3.6364884 1.1532296 1.0213822 ] [ 2.8069031 2.098839 3.1363394 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3063251e-10 1.0139716e-10 1.5156755e-10 ] [ 1.217939e-10 3.385163e-10 1.7666795e-10 ] [ 3.5481511e-10 3.5243998e-10 1.2725954e-10 ] [ 3.6364884e-10 1.1532296e-10 1.0213822e-10 ] [ 2.8069031e-10 2.098839e-10 3.136339400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 -1.7e-05 -4.74e-05 ] [ 3e-07 4.26e-05 3.43e-05 ] [ -2.82e-05 3.22e-05 -4.25e-05 ] [ 2.11e-05 -4.28e-05 3.73e-05 ] [ 1.21e-05 -1.5e-05 1.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 -2.72370025536e-14 -7.594317182591999e-14 ] [ 4.8065298624e-16 6.825272404608e-14 5.495465809344e-14 ] [ -4.518138070656001e-14 5.159008718975999e-14 -6.8092506384e-14 ] [ 3.380592669888e-14 -6.857315937023999e-14 5.976118795584e-14 ] [ 1.938633711168e-14 -2.4032649312e-14 2.931983216064e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }