{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1710882 -0.9296673 0.3910992 ] [ -1.1467219 -0.8376263 1.0605941 ] [ -1.3867754 -1.4822697 -0.911648 ] [ 0.4596637 0.4894571 0.3848016 ] [ 0.3195414 -0.6555787 -0.1617333 ] [ 3.2398586 0.8908437 -0.5903615 ] [ 0.6855219 2.5248411 -0.1727521 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.478466755734754e-09 -1.48949121318226e-09 6.266099946535834e-10 ] [ -1.837251018739355e-09 -1.342025274827207e-09 1.699259071178417e-09 ] [ -2.221859124180569e-09 -2.37485785906023e-09 -1.460621111999078e-09 ] [ 7.36462433570425e-10 7.841967225045677e-10 6.165201271664334e-10 ] [ 5.119617604577011e-10 -1.050352866234457e-09 -2.591253120648327e-10 ] [ 5.190825703617818e-09 1.427288948926969e-09 -9.458633931204192e-10 ] [ 1.098327161226396e-09 4.045241381654955e-09 -2.767793758141037e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.972425085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.277323308318363e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8292439 2.6696111 0.9076768 ] [ 1.8427869 4.8510892 1.2965449 ] [ 1.9590883 3.3861976 3.0553529 ] [ 5.1719954 3.2197792 1.210988 ] [ 4.0166533 2.3779971 3.0024754 ] [ 3.828472 4.7482401 0.1566669 ] [ 3.8983552 4.7637097 2.5811339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8292439e-10 2.6696111e-10 9.076767999999999e-11 ] [ 1.8427869e-10 4.851089199999999e-10 1.2965449e-10 ] [ 1.9590883e-10 3.3861976e-10 3.0553529e-10 ] [ 5.171995400000001e-10 3.2197792e-10 1.210988e-10 ] [ 4.0166533e-10 2.3779971e-10 3.0024754e-10 ] [ 3.828472e-10 4.7482401e-10 1.566669e-11 ] [ 3.8983552e-10 4.7637097e-10 2.5811339e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 4.9e-06 4e-06 ] [ 1.01e-05 3e-07 -6.1e-06 ] [ 1.07e-05 3.1e-06 -1.34e-05 ] [ -1.04e-05 8.3e-06 4.4e-06 ] [ 5.6e-06 -1.61e-05 6.8e-06 ] [ -1.03e-05 -4.9e-06 9.2e-06 ] [ -1.8e-06 4.4e-06 -4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 7.850665441919999e-15 6.4087064832e-15 ] [ 1.618198387008e-14 4.8065298624e-16 -9.77327738688e-15 ] [ 1.714328984256e-14 4.96674752448e-15 -2.146916671872e-14 ] [ -1.666263685632e-14 1.329806595264e-14 7.04957713152e-15 ] [ 8.972189076479999e-15 -2.579504359488e-14 1.089480102144e-14 ] [ -1.650241919424e-14 -7.850665441919999e-15 1.474002491136e-14 ] [ -2.88391791744e-15 7.04957713152e-15 -7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }