{ "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" [ [ -5.2271333 -2.4488842 1.0732213 ] [ 2.0951783 -1.601906 -2.4608153 ] [ 1.6335984 -5.0001576 1.2827695 ] [ 2.4351434 3.9048565 1.6214563 ] [ -1.6637632 -0.4519546 -5.4339497 ] [ 2.2187792 0.6246317 3.4876914 ] [ -1.4918028 4.9734142 0.4296265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.374790767065154e-09 -3.923545012286512e-09 1.719490075804583e-09 ] [ 3.356845688667489e-09 -2.566536341919245e-09 -3.942660741766939e-09 ] [ 2.617313164256287e-09 -8.011135607035437e-09 2.055223302775306e-09 ] [ 3.901529823775423e-09 6.256269791878916e-09 2.597859375508871e-09 ] [ -2.665642501587395e-09 -7.241110937830157e-10 -8.706147167943174e-09 ] [ 3.554876160957328e-09 1.000770306350559e-09 5.587897621645222e-09 ] [ -2.390131569003979e-09 7.968287956794735e-09 6.883375339761314e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.265034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.407034031531711e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3766238 2.189143 2.8000006 ] [ 5.4059593 2.1404908 1.6027996 ] [ 4.4207923 1.3108279 3.5759201 ] [ 5.3387483 4.3947983 2.4147514 ] [ 3.4737775 3.4639721 1.0921475 ] [ 4.8377776 3.4175555 4.5454169 ] [ 3.0432302 4.4316673 3.3219469 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3766238e-10 2.189143e-10 2.8000006e-10 ] [ 5.4059593e-10 2.1404908e-10 1.6027996e-10 ] [ 4.4207923e-10 1.3108279e-10 3.5759201e-10 ] [ 5.3387483e-10 4.3947983e-10 2.4147514e-10 ] [ 3.473777500000001e-10 3.4639721e-10 1.0921475e-10 ] [ 4.8377776e-10 3.4175555e-10 4.5454169e-10 ] [ 3.0432302e-10 4.4316673e-10 3.3219469e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.31e-05 1.1e-05 1.64e-05 ] [ 3.3e-06 -8e-06 2.2e-06 ] [ -1.54e-05 -1.15e-05 5.2e-06 ] [ -2.45e-05 8e-07 -1.15e-05 ] [ 2.87e-05 2.57e-05 5.7e-05 ] [ -1.48e-05 -9.1e-06 -4.81e-05 ] [ -1.04e-05 -8.9e-06 -2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.303204614848e-14 1.76239428288e-14 2.627569658112e-14 ] [ 5.28718284864e-15 -1.28174129664e-14 3.52478856576e-15 ] [ -2.467351996032e-14 -1.84250311392e-14 8.33131842816e-15 ] [ -3.92533272096e-14 1.28174129664e-15 -1.84250311392e-14 ] [ 4.598246901696e-14 4.117593915456e-14 9.13240673856e-14 ] [ -2.371221398784e-14 -1.457980724928e-14 -7.706469546047999e-14 ] [ -1.666263685632e-14 -1.425937192512e-14 -3.396614436096001e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }