{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7554777 0.0663131 -0.6389204 ] [ -1.7807215 -0.7911239 3.0351493 ] [ 3.1757375 -1.1983453 -1.2247364 ] [ 1.2160636 2.2141664 -0.1532209 ] [ -1.8556018 -0.2910103 -1.0182715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.210408718448062e-09 1.062452993481054e-10 -1.023663335865934e-09 ] [ -2.853030378961431e-09 -1.267520227178952e-09 4.862845289161456e-09 ] [ 5.088092418217574e-09 -1.91996083912372e-09 -1.962244042889277e-09 ] [ 1.948348685377922e-09 3.547485669867897e-09 -2.454869458204506e-10 ] [ -2.973001845968341e-09 -4.662499029133301e-10 -1.631450804368131e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.688815432689672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.552319369739399e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4530612 2.1480633 -0.111779 ] [ 1.5983558 1.6986231 2.9400227 ] [ 2.9273232 0.7946647 1.1811681 ] [ 1.7842655 3.701974 1.6637517 ] [ 4.0159604 2.8982679 1.4391443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4530612e-10 2.1480633e-10 -1.11779e-11 ] [ 1.5983558e-10 1.6986231e-10 2.9400227e-10 ] [ 2.9273232e-10 7.946647e-11 1.1811681e-10 ] [ 1.7842655e-10 3.701974e-10 1.6637517e-10 ] [ 4.0159604e-10 2.8982679e-10 1.4391443e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 1.3e-06 5.8e-06 ] [ 7.6e-06 -1.6e-05 -1.11e-05 ] [ -2.37e-05 -2.36e-05 1.34e-05 ] [ 5.5e-06 1.31e-05 2.8e-06 ] [ -7.3e-06 2.52e-05 -1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874408519999e-14 2.0828296242e-15 9.2926244772e-15 ] [ 1.21765424184e-14 -2.5634826144e-14 -1.77841606374e-14 ] [ -3.79715862258e-14 -3.78113685624e-14 2.14691668956e-14 ] [ 8.811971486999999e-15 2.09885139054e-14 4.486094575199999e-15 ] [ -1.16958894282e-14 4.037485117679999e-14 -1.74637253106e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }