{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4699664 -0.9655359 1.2508736 ] [ -0.9681026 0.6444486 0.027507 ] [ -2.2702166 1.2908976 -1.7379 ] [ -0.1540178 1.4436065 0.23557 ] [ 2.2157653 -1.0114175 -0.7236873 ] [ -0.2394029 -0.9911599 0.7493182 ] [ 0.9460082 -0.4108393 0.1983184 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.529691848450975e-10 -1.54695905826816e-09 2.004120454007462e-09 ] [ -1.551071365034648e-09 1.032520488734012e-09 4.407107267143799e-11 ] [ -3.637287990638924e-09 2.068245971606678e-09 -2.7844227722286e-09 ] [ -2.467637203800852e-10 2.312912602990521e-09 3.7742474967138e-10 ] [ 3.550047390088e-09 -1.620469485718695e-09 -1.159474882382548e-09 ] [ -3.835657324918385e-10 -1.588013232337776e-09 1.200540111470939e-09 ] [ 1.515672233612398e-09 -6.582371267889162e-10 3.177411065722656e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.698821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.156099072354851e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.698305 2.8923806 3.3005947 ] [ 2.8436767 5.9198679 1.218545 ] [ 1.2866893 4.1165587 1.2983772 ] [ 2.0789646 5.2433017 3.3726086 ] [ 3.1417438 2.5627981 1.4338376 ] [ 4.6510014 4.4060849 1.3505218 ] [ 3.9340182 3.6895411 3.5080681 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.698305e-10 2.8923806e-10 3.3005947e-10 ] [ 2.8436767e-10 5.9198679e-10 1.218545e-10 ] [ 1.2866893e-10 4.1165587e-10 1.2983772e-10 ] [ 2.0789646e-10 5.2433017e-10 3.3726086e-10 ] [ 3.1417438e-10 2.562798100000001e-10 1.4338376e-10 ] [ 4.6510014e-10 4.4060849e-10 1.3505218e-10 ] [ 3.9340182e-10 3.6895411e-10 3.5080681e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 -1.27e-05 1.14e-05 ] [ 2.6e-06 2e-06 5e-06 ] [ 7.1e-06 3.1e-06 -6.2e-06 ] [ 1.01e-05 1.3e-06 -1.53e-05 ] [ -2.6e-06 -4e-07 -4e-07 ] [ -1.44e-05 7.1e-06 6e-07 ] [ 2.2e-06 -4e-07 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665506599998e-15 -2.03476432518e-14 1.82648136276e-14 ] [ 4.165659248399999e-15 3.204353268e-15 8.010883169999999e-15 ] [ 1.13754541014e-14 4.9667475654e-15 -9.9334951308e-15 ] [ 1.61819840034e-14 2.0828296242e-15 -2.45133025002e-14 ] [ -4.165659248399999e-15 -6.408706536e-16 -6.408706536e-16 ] [ -2.30713435296e-14 1.13754541014e-14 9.613059803999998e-16 ] [ 3.5247885948e-15 -6.408706536e-16 7.850665506599998e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }