{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0359987 -5.4755901 -3.0155525 ] [ -1.9586873 -5.8516517 9.8940471 ] [ -7.4708896 4.1078786 -3.3213921 ] [ 3.8348203 -1.4313091 -8.5641537 ] [ 4.3618755 -1.8910212 2.0368685 ] [ 3.4430392 3.31746 -4.1342686 ] [ 1.8258407 7.2242336 7.1044513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.466382758719194e-09 -8.772862443303933e-09 -4.831447714294992e-09 ] [ -3.138162999517876e-09 -9.375379546804574e-09 1.585201094871404e-08 ] [ -1.196968465369786e-08 6.581547054004635e-09 -5.321456771129816e-09 ] [ 6.144059429629242e-09 -2.293209977158289e-09 -1.372128683507782e-08 ] [ 6.988494948940311e-09 -3.029749956077161e-09 3.263423090343965e-09 ] [ 5.516356910737935e-09 5.315156852439168e-09 -6.623828495027547e-09 ] [ 2.925319282845106e-09 1.157449817711782e-08 1.138258577647217e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6677645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.478583153300201e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9869216 1.7203219 2.7017188 ] [ 3.0413384 1.8647036 4.9420862 ] [ 1.7909224 4.1928699 2.7028409 ] [ 4.2403695 1.9612282 1.6938356 ] [ 5.2149564 1.7232626 3.8933767 ] [ 3.8188447 4.3226584 1.3932174 ] [ 2.480147 4.2148974 5.0199314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9869216e-10 1.7203219e-10 2.7017188e-10 ] [ 3.0413384e-10 1.8647036e-10 4.9420862e-10 ] [ 1.7909224e-10 4.1928699e-10 2.7028409e-10 ] [ 4.2403695e-10 1.9612282e-10 1.6938356e-10 ] [ 5.2149564e-10 1.7232626e-10 3.8933767e-10 ] [ 3.8188447e-10 4.3226584e-10 1.3932174e-10 ] [ 2.480147e-10 4.2148974e-10 5.0199314e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 1.5e-05 7.3e-06 ] [ 6.4e-06 2.3e-06 -1.06e-05 ] [ 4.7e-06 -1.77e-05 -6.2e-06 ] [ -2.7e-06 -2.06e-05 4.5e-06 ] [ 3.5e-06 3.6e-06 -1.19e-05 ] [ -2e-07 1.14e-05 2.72e-05 ] [ -6.5e-06 6e-06 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.17110076608e-15 2.4032649312e-14 1.169588933184e-14 ] [ 1.025393037312e-14 3.68500622784e-15 -1.698307218048e-14 ] [ 7.53023011776e-15 -2.835852618816e-14 -9.93349504896e-15 ] [ -4.32587687616e-15 -3.300483838848e-14 7.2097947936e-15 ] [ 5.6076181728e-15 5.76783583488e-15 -1.906590178752e-14 ] [ -3.2043532416e-16 1.826481347712e-14 4.357920408576e-14 ] [ -1.04141480352e-14 9.6130597248e-15 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }