{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.581073 -3.0083055 0.7129343 ] [ -3.8704629 1.5682695 -3.5895558 ] [ -2.1999212 5.1824164 5.5880132 ] [ 7.670511 -8.516842 -9.5740125 ] [ 2.1087321 -1.7199082 13.787421 ] [ -0.127786 6.4943698 -6.9248001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.737511437978118e-09 -4.819836740324055e-09 1.142246667626413e-09 ] [ -6.201165170053769e-09 2.512644728013706e-09 -5.751102381817041e-09 ] [ -3.524662314242281e-09 8.303146395330501e-09 8.952984105761795e-09 ] [ 1.228951339378923e-08 -1.364548513544751e-08 -1.533925899474696e-08 ] [ 3.378561270150488e-09 -2.755596707962211e-09 2.208988358732696e-08 ] [ -2.047357416655488e-10 1.040512746038957e-08 -1.10947528239335e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4623729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.342979671271497e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1378018 0.7190326 1.8253716 ] [ -0.0386938 2.1226725 -0.1444899 ] [ 1.2767544 2.7840296 2.9065559 ] [ 2.6077377 0.4088402 1.0948309 ] [ 3.1380755 1.2787739 3.2956661 ] [ 2.1764698 2.8909689 0.4755817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.378018e-11 7.190326e-11 1.8253716e-10 ] [ -3.86938e-12 2.1226725e-10 -1.444899e-11 ] [ 1.2767544e-10 2.7840296e-10 2.9065559e-10 ] [ 2.6077377e-10 4.088402e-11 1.0948309e-10 ] [ 3.1380755e-10 1.2787739e-10 3.2956661e-10 ] [ 2.1764698e-10 2.8909689e-10 4.755817e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.43e-05 -3.1e-05 5.8e-06 ] [ 3.2e-06 -1.6e-06 -4.3e-06 ] [ 2.3e-06 4.25e-05 3.1e-06 ] [ 4.8e-06 -2.19e-05 -2.14e-05 ] [ -3.5e-06 3.1e-06 -8.8e-06 ] [ 7.6e-06 8.9e-06 2.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.291112567744e-14 -4.96674752448e-14 9.292624400640001e-15 ] [ 5.126965186560001e-15 -2.56348259328e-15 -6.889359469440001e-15 ] [ 3.68500622784e-15 6.8092506384e-14 4.96674752448e-15 ] [ 7.69044777984e-15 -3.508766799552e-14 -3.428657968511999e-14 ] [ -5.6076181728e-15 4.96674752448e-15 -1.409915426304e-14 ] [ 1.217654231808e-14 1.425937192512e-14 4.101572149248001e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.1483887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.465733449313091e-18 } }