{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.37157 0 0 ] "si-unit" "m" "si-value" [ 5.37157e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00742946 5.44743 0 ] "si-unit" "m" "si-value" [ -7.42946e-13 5.447429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0324182 0.1292 5.41398 ] "si-unit" "m" "si-value" [ 3.24182e-12 1.292e-11 5.41398e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0294164 -0.0853048 -0.0527531 ] [ 1.50657 1.46533 1.29324 ] [ 0.0376731 2.77305 2.66982 ] [ 1.30492 4.09759 4.08062 ] [ 2.57907 0.017247 2.67471 ] [ 4.14556 1.36588 4.04305 ] [ 2.78643 2.5664 0.0569683 ] [ 4.11497 4.06206 1.21769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.94164e-12 -8.530480000000001e-12 -5.27531e-12 ] [ 1.50657e-10 1.46533e-10 1.29324e-10 ] [ 3.76731e-12 2.77305e-10 2.66982e-10 ] [ 1.30492e-10 4.09759e-10 4.08062e-10 ] [ 2.57907e-10 1.7247e-12 2.67471e-10 ] [ 4.14556e-10 1.36588e-10 4.04305e-10 ] [ 2.78643e-10 2.5664e-10 5.69683e-12 ] [ 4.114969999999999e-10 4.06206e-10 1.21769e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2187719 1.2151488 0.4840738 ] [ -3.0490241 -1.9093484 1.100487 ] [ 0.3483312 -0.3340998 -0.3249928 ] [ 1.0403897 -0.5796867 0.0648628 ] [ 2.1266198 -0.3978641 0.0760454 ] [ -1.2173183 -0.0659887 -0.6439519 ] [ 0.9019922 1.9930553 -2.4708466 ] [ -1.3697624 0.0787835 1.7143223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.952687844267995e-09 1.946882998153175e-09 7.75571725101815e-10 ] [ -4.885075129275762e-09 -3.059113367441887e-09 1.76317454289433e-09 ] [ 5.58088104935209e-10 -5.352868885739558e-10 -5.206958660883303e-10 ] [ 1.666888053861126e-09 -9.287604781287034e-10 1.039216617196262e-10 ] [ 3.407220524890372e-09 -6.374485592756333e-10 1.218381619993843e-10 ] [ -1.950358920332001e-09 -1.05725552376985e-10 -1.03172467909974e-09 ] [ 1.445150814983958e-09 3.19322660562153e-09 -3.958732656103169e-09 ] [ -2.194601293330898e-09 1.262250818047968e-10 2.746647109576084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.731213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.122594789342503e-18 } }