{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8129566 -0.3898193 0.1870935 ] [ 1.1192779 -0.2531665 -1.0396019 ] [ -1.9437539 1.9506009 1.1057235 ] [ 5.525277 -14.2498037 -5.6557437 ] [ -0.9005752 -3.917639 5.9517049 ] [ -2.5356764 18.0399028 2.1761132 ] [ -2.077506 -1.1800751 -2.7252896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.302500068976084e-09 -6.24559373942236e-10 2.997568340732789e-10 ] [ 1.793280898332588e-09 -4.05617450811561e-10 -1.665625872842005e-09 ] [ -3.114237080826372e-09 3.12520718423937e-09 1.771564355364699e-09 ] [ 8.852469705777616e-09 -2.283070252722674e-08 -9.061500404032706e-09 ] [ -1.442880542599877e-09 -6.276749666247124e-09 9.535682523243307e-09 ] [ -4.062601479465236e-09 2.890311074579117e-08 3.486517721978969e-09 ] [ -3.328531570194804e-09 -1.890688751585213e-09 -4.366395318003206e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.003792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.564090159779613e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2350097 1.4876638 0.7317649 ] [ 2.9239581 0.8741153 2.8928075 ] [ 2.1783679 3.2671142 3.0963301 ] [ 4.8750787 2.1642331 1.9724602 ] [ 4.182811 2.4672975 4.3541423 ] [ 4.3727367 4.4397169 2.8743451 ] [ 3.189668 3.6327662 0.8231096 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2350097e-10 1.4876638e-10 7.317649e-11 ] [ 2.9239581e-10 8.741153e-11 2.8928075e-10 ] [ 2.1783679e-10 3.2671142e-10 3.0963301e-10 ] [ 4.8750787e-10 2.1642331e-10 1.9724602e-10 ] [ 4.182811e-10 2.4672975e-10 4.354142300000001e-10 ] [ 4.3727367e-10 4.4397169e-10 2.8743451e-10 ] [ 3.189668000000001e-10 3.6327662e-10 8.231096e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.07e-05 0.0003267 0.0004943 ] [ 0.0002469 1.66e-05 8.64e-05 ] [ 0.0005489 -0.0003229 -0.000523 ] [ -0.0005716 0.0001597 0.0002014 ] [ -0.0002271 9.7e-05 -0.0003741 ] [ -0.0001559 -0.0003823 -2.49e-05 ] [ 7.82e-05 0.0001051 0.0001398 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.292956543638e-13 5.234311063278e-13 7.919559101861999e-13 ] [ 3.955774109346e-13 2.65961321244e-14 1.384280611776e-13 ] [ 8.794347544025998e-13 -5.173428351185999e-13 -8.379383795819999e-13 ] [ -9.158041639943999e-13 2.558676084498e-13 3.226783740876e-13 ] [ -3.638543135813999e-13 1.55411133498e-13 -5.993742787794e-13 ] [ -2.497793372406e-13 -6.125121271781999e-13 -3.989419818659999e-14 ] [ 1.252902127788e-13 1.683887642334e-13 2.239842934332e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.205038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.397421640668209e-18 } }