{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3729602 -1.0642569 -0.8849701 ] [ -3.0070501 -0.8036073 2.848402 ] [ -4.3179102 0.813827 -2.315492 ] [ 0.2301566 2.9567523 0.5441884 ] [ 1.1579473 -2.0245654 -4.6484579 ] [ 4.3759097 -1.9632496 4.4461083 ] [ 3.9339068 2.0850999 0.0102213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.801901354528892e-09 -1.705127523705083e-09 -1.417878404327038e-09 ] [ -4.817825367794302e-09 -1.287520828364212e-09 4.563643091039962e-09 ] [ -6.918054773153853e-09 1.303894592775802e-09 -3.709827148049433e-09 ] [ 3.687515236428172e-10 4.737239408556628e-09 8.718859317905587e-10 ] [ 1.855236092178484e-09 -3.2437113511606e-09 -7.447650570153066e-09 ] [ 7.010980216071942e-09 -3.145472609914952e-09 7.123450771804833e-09 ] [ 6.302813503366142e-09 3.340698311812418e-09 1.637632789418304e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.147305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.067736442232694e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5394413 1.5007907 2.6877605 ] [ 2.1384766 2.0875697 4.8922593 ] [ 2.3283018 3.6280891 1.8633354 ] [ 2.9481718 4.2352506 4.1444532 ] [ 3.8461443 1.6181684 1.9858406 ] [ 4.4660052 2.2253132 4.2669652 ] [ 4.7435121 3.9052603 2.4388428 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5394413e-10 1.5007907e-10 2.6877605e-10 ] [ 2.1384766e-10 2.0875697e-10 4.8922593e-10 ] [ 2.3283018e-10 3.6280891e-10 1.8633354e-10 ] [ 2.9481718e-10 4.2352506e-10 4.1444532e-10 ] [ 3.8461443e-10 1.6181684e-10 1.9858406e-10 ] [ 4.4660052e-10 2.2253132e-10 4.2669652e-10 ] [ 4.7435121e-10 3.9052603e-10 2.4388428e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.24e-05 4.35e-05 5.1e-06 ] [ 9.3e-06 -1.9e-05 -1.11e-05 ] [ 3.7e-06 -2.9e-06 4e-06 ] [ -3.8e-06 -3.07e-05 -1.17e-05 ] [ 2.17e-05 6.8e-06 2.48e-05 ] [ 9e-07 2.41e-05 -5.1e-06 ] [ -1.94e-05 -2.18e-05 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.986699009792e-14 6.969468300480001e-14 8.17110076608e-15 ] [ 1.490024257344e-14 -3.04413557952e-14 -1.778416049088e-14 ] [ 5.928053496960001e-15 -4.646312200320001e-15 6.4087064832e-15 ] [ -6.08827115904e-15 -4.918682225856e-14 -1.874546646336e-14 ] [ 3.476723267136e-14 1.089480102144e-14 3.973398019584e-14 ] [ 1.44195895872e-15 3.861245656128e-14 -8.17110076608e-15 ] [ -3.108222644352e-14 -3.492745033344e-14 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.957559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517988767963663e-18 } }