{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.061869 2.942366 1.677644 ] [ 1.882152 2.580028 5.41738 ] [ 1.143094 3.952812 3.395101 ] [ 3.99886 1.876175 2.533949 ] [ 4.004626 1.895608 4.810911 ] [ 3.218518 3.766044 3.544324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.061869e-10 2.942366e-10 1.677644e-10 ] [ 1.882152e-10 2.580028e-10 5.41738e-10 ] [ 1.143094e-10 3.952812e-10 3.395101e-10 ] [ 3.99886e-10 1.876175e-10 2.533949e-10 ] [ 4.004626e-10 1.895608e-10 4.810911e-10 ] [ 3.218518e-10 3.766044e-10 3.544324e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0544202 -1.6989937 -3.5075874 ] [ -0.8955266 0.9478201 -0.6545949 ] [ -7.1608458 1.0052586 2.4796795 ] [ 1.080623 -2.0994708 -2.4514616 ] [ 0.7755377 -1.0009109 1.6633805 ] [ 6.1457915 2.8462967 2.4705839 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.719077213926016e-11 -2.722087985026489e-09 -5.619774527692657e-09 ] [ -1.434791781824513e-09 1.518575204944318e-09 -1.048776644874914e-09 ] [ -1.147293972591387e-08 1.610601826778139e-09 3.972884521977034e-09 ] [ 1.731348906498758e-09 -3.363723031812273e-09 -3.927674462308961e-09 ] [ 1.242548371489004e-09 -1.603636043483887e-09 2.665029348594614e-09 ] [ 9.846643457611362e-09 4.560270028600192e-09 3.958311764304885e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.843396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538391866527624e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1721701 3.0239422 1.59176 ] [ 1.9412529 2.9043741 5.463725 ] [ 0.8604226 3.7084064 3.4793822 ] [ 4.0636847 1.7968405 2.4094873 ] [ 3.9209615 1.7229327 4.8024871 ] [ 3.3506271 3.856537 3.6324674 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1721701e-10 3.0239422e-10 1.59176e-10 ] [ 1.9412529e-10 2.9043741e-10 5.463725e-10 ] [ 8.604226000000001e-11 3.7084064e-10 3.4793822e-10 ] [ 4.0636847e-10 1.7968405e-10 2.4094873e-10 ] [ 3.9209615e-10 1.7229327e-10 4.8024871e-10 ] [ 3.3506271e-10 3.856537e-10 3.6324674e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-05 -7.2e-06 4.4e-06 ] [ -3.5e-06 -1.98e-05 6.6e-06 ] [ -2e-06 1.53e-05 -1.6e-05 ] [ -1.2e-06 1.3e-06 -6.8e-06 ] [ 5.8e-06 7.6e-06 1.09e-05 ] [ 1.29e-05 2.8e-06 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-14 -1.153567166976e-14 7.04957713152e-15 ] [ -5.6076181728e-15 -3.172309709184e-14 1.057436569728e-14 ] [ -3.2043532416e-15 2.451330229824e-14 -2.56348259328e-14 ] [ -1.92261194496e-15 2.08282960704e-15 -1.089480102144e-14 ] [ 9.292624400640001e-15 1.217654231808e-14 1.746372516672e-14 ] [ 2.066807840832e-14 4.48609453824e-15 1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.705886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.836795659975003e-18 } }