{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7778247 -13.0910622 -13.3255934 ] [ 0.2793949 -0.0891249 0.659789 ] [ -7.609262 1.8651775 -11.0200273 ] [ -7.4054741 -10.3394406 34.4667063 ] [ 2.5174552 21.4022203 -12.0043615 ] [ 1.7389743 3.5336823 -6.2458654 ] [ 11.2567364 -3.2814525 7.4693523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.246212549420774e-09 -2.097419379827862e-08 -2.134995420376679e-08 ] [ 4.476399767507539e-10 -1.427938311111379e-10 1.057098510461011e-09 ] [ -1.219138167794185e-08 2.988343784142192e-09 -1.765603010063775e-08 ] [ -1.186487746895992e-08 -1.656561000147033e-08 5.522175102984007e-08 ] [ 4.033407865351388e-09 3.429013699787116e-08 -1.923310734293162e-08 ] [ 2.786143967632046e-09 5.661583166394773e-09 -1.000697952054364e-08 ] [ 1.803527988658836e-08 -5.257466477765711e-09 1.196722162757871e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.68429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.872029626864723e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8305012 0.847279 2.5653813 ] [ 2.5549863 2.5074251 0.480142 ] [ 0.8978653 2.8093421 2.4944273 ] [ 2.237204 2.2983596 4.8308085 ] [ 2.5831807 4.5479303 3.5165154 ] [ 4.339356 3.2385826 2.2234111 ] [ 4.7258595 1.6792142 4.267068 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8305012e-10 8.47279e-11 2.5653813e-10 ] [ 2.5549863e-10 2.5074251e-10 4.801420000000001e-11 ] [ 8.978653e-11 2.8093421e-10 2.4944273e-10 ] [ 2.237204e-10 2.2983596e-10 4.8308085e-10 ] [ 2.5831807e-10 4.5479303e-10 3.5165154e-10 ] [ 4.339356e-10 3.2385826e-10 2.2234111e-10 ] [ 4.725859500000001e-10 1.6792142e-10 4.267068e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.1e-06 1.6e-05 2.79e-05 ] [ -2.8e-06 1.78e-05 -1.18e-05 ] [ 2.24e-05 -3e-07 5e-07 ] [ 1.5e-05 -6e-07 -1.69e-05 ] [ -7.8e-06 -2.56e-05 -1.04e-05 ] [ -1.63e-05 -6.7e-06 7e-06 ] [ -2.4e-06 -6e-07 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.297763062848e-14 2.56348259328e-14 4.470072772032e-14 ] [ -4.48609453824e-15 2.851874385024e-14 -1.890568412544e-14 ] [ 3.588875630592e-14 -4.8065298624e-16 8.010883104e-16 ] [ 2.4032649312e-14 -9.6130597248e-16 -2.707678489152e-14 ] [ -1.249697764224e-14 -4.101572149248001e-14 -1.666263685632e-14 ] [ -2.611547891904e-14 -1.073458335936e-14 1.12152363456e-14 ] [ -3.84522388992e-15 -9.6130597248e-16 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.847122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820730134176534e-18 } }