{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.016035 -4.1563558 -3.4842058 ] [ -1.4805801 1.7537023 -3.9434629 ] [ 8.3500285 -4.1197201 -0.1016141 ] [ 1.4623895 7.6361109 5.3886172 ] [ -10.1261098 2.742649 -1.1861696 ] [ -2.9098459 -4.4230852 5.2299332 ] [ 4.7201529 0.5666989 -1.903098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.569090232619e-11 -6.659216145350376e-09 -5.582313120807276e-09 ] [ -2.372150840985383e-09 2.809740848052058e-09 -6.318124115425878e-09 ] [ 1.337822055593407e-08 -6.600519282840143e-09 -1.628037367049394e-10 ] [ 2.343006286706943e-09 1.223439845861271e-08 8.633516567410503e-09 ] [ -1.622381651487841e-08 4.394208143063465e-09 -1.900453217081126e-09 ] [ -4.662087109520701e-09 -7.086563757631217e-09 8.379276770420847e-09 ] [ 7.562518685287339e-09 9.079517360935025e-10 -3.049099147812132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.654264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.988742590526738e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.07861 2.0641493 4.4138501 ] [ 2.351969 4.0225109 2.8274484 ] [ 5.3288509 0.9578053 2.7472757 ] [ 4.7944643 3.3534477 2.7127265 ] [ 2.93595 1.7425919 2.0318109 ] [ 3.3854274 0.0352571 3.9648877 ] [ 3.8134565 3.7724647 4.9711787 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.07861e-10 2.0641493e-10 4.413850100000001e-10 ] [ 2.351969e-10 4.0225109e-10 2.827448400000001e-10 ] [ 5.328850900000001e-10 9.578053e-11 2.7472757e-10 ] [ 4.7944643e-10 3.3534477e-10 2.7127265e-10 ] [ 2.93595e-10 1.7425919e-10 2.0318109e-10 ] [ 3.3854274e-10 3.52571e-12 3.9648877e-10 ] [ 3.8134565e-10 3.7724647e-10 4.971178700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001048 0.0003113 3.35e-05 ] [ 0.0001057 -0.0002276 -2e-06 ] [ -9.5e-05 -9e-05 8.26e-05 ] [ -0.0001575 5.55e-05 -2.33e-05 ] [ 2.74e-05 0.0001338 3.18e-05 ] [ 0.0001197 -0.0001976 -0.0001444 ] [ -0.0001051 1.46e-05 2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.679081112432e-13 4.987575861642e-13 5.367291723899999e-14 ] [ 1.693500702138e-13 -3.646554018984e-13 -3.204353268e-15 ] [ -1.5220678023e-13 -1.4419589706e-13 1.323397899684e-13 ] [ -2.52342819855e-13 8.892080318699998e-14 -3.733071557219999e-14 ] [ 4.389963977159999e-14 2.143712336292e-13 5.09492169612e-14 ] [ 1.917805430898e-13 -3.165901028784e-13 -2.313543059496e-13 ] [ -1.683887642334e-13 2.33917788564e-14 3.492745062119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.198393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.877009984494916e-18 } }