{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3364155 -6.7907546 -2.9430536 ] [ -2.273187 -1.2526591 4.1655858 ] [ -0.4830653 6.6432448 -5.197396 ] [ -1.0290081 1.3951411 1.1315143 ] [ 5.0585736 -2.7164873 5.8725603 ] [ 0.2294196 2.2330267 -3.6215453 ] [ 0.8336827 0.4884885 0.5923346 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.743350290574743e-09 -1.087998825771005e-08 -4.715291671681275e-09 ] [ -3.64204706610649e-09 -2.00698112385237e-09 6.674004180696464e-09 ] [ -7.739559299797382e-10 1.064365150481117e-08 -8.327146360239437e-09 ] [ -1.648652720433828e-09 2.235262453137195e-09 1.812885757560877e-09 ] [ 8.104728356516091e-09 -4.352292442760115e-09 9.408878816898234e-09 ] [ 3.675707194732877e-10 3.577703172362175e-09 -5.802355210828123e-09 ] [ 1.33570693110542e-09 7.826448542296609e-10 9.490246478109198e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.195348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.114127806892004e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.727228 1.8234166 2.0107947 ] [ 1.9101205 2.0253321 4.3075505 ] [ 2.5411648 3.9609039 0.7900416 ] [ 2.5125262 5.0783678 2.9652298 ] [ 4.9129241 2.6745432 2.8580839 ] [ 4.9821925 4.0908781 0.8649159 ] [ 3.622797 3.7313714 4.6780847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.727228e-10 1.8234166e-10 2.0107947e-10 ] [ 1.9101205e-10 2.0253321e-10 4.3075505e-10 ] [ 2.5411648e-10 3.9609039e-10 7.900416000000001e-11 ] [ 2.5125262e-10 5.0783678e-10 2.9652298e-10 ] [ 4.912924099999999e-10 2.6745432e-10 2.8580839e-10 ] [ 4.9821925e-10 4.0908781e-10 8.649159e-11 ] [ 3.622797e-10 3.7313714e-10 4.678084700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-06 -3.34e-05 6.9e-06 ] [ 2.8e-05 1.92e-05 2.6e-06 ] [ -6e-07 5.74e-05 2.54e-05 ] [ -5.37e-05 4.22e-05 -2.69e-05 ] [ 3.44e-05 1.07e-05 -1.84e-05 ] [ 1.34e-05 -5.22e-05 -1.58e-05 ] [ -3.04e-05 -4.39e-05 2.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-14 -5.351269913472e-14 1.105501868352e-14 ] [ 4.48609453824e-14 3.076179111936e-14 4.16565921408e-15 ] [ -9.6130597248e-16 9.196493803392e-14 4.069528616832e-14 ] [ -8.603688453696e-14 6.761185339776e-14 -4.309855109952001e-14 ] [ 5.511487575552001e-14 1.714328984256e-14 -2.948004982272e-14 ] [ 2.146916671872e-14 -8.363361960576001e-14 -2.531439060864e-14 ] [ -4.870616927232e-14 -7.033555365312e-14 4.213724512704e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.705945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.997022774897066e-18 } }