{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0340898 -2.4309838 1.7947307 ] [ 0.1964657 0.3987807 -3.0108984 ] [ 6.5042501 -1.3461293 -1.62449 ] [ 5.240104 6.1903246 1.5961124 ] [ -7.6024428 -1.2181251 -4.5574971 ] [ -4.2034399 -2.770625 4.3057219 ] [ 0.8991527 1.1767578 1.4963204 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.656794515017733e-09 -3.894865441992529e-09 2.875475591862463e-09 ] [ 3.147727539224538e-10 6.389171196301637e-10 -4.823991063827985e-09 ] [ 1.042095753191216e-08 -2.156736910802776e-09 -2.60271992016666e-09 ] [ 8.395572188529935e-09 9.917993430995395e-09 2.557253992517661e-09 ] [ -1.218045621548153e-08 -1.951651572508913e-09 -7.30191536314276e-09 ] [ -6.734653190203296e-09 -4.439030636576249e-09 6.898527020682084e-09 ] [ 1.440601446338012e-09 1.885373851037245e-09 2.397369581857533e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.483924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.000145133343182e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3441793 2.0120351 4.8953328 ] [ 2.8677846 3.7427965 3.1443348 ] [ 5.5699898 0.8889323 3.0671057 ] [ 4.886271 2.8814257 1.9387804 ] [ 2.6589192 1.7874331 1.5885596 ] [ 3.2809093 0.3453364 3.4606186 ] [ 3.0806748 4.2902678 5.5744462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3441793e-10 2.0120351e-10 4.8953328e-10 ] [ 2.8677846e-10 3.7427965e-10 3.1443348e-10 ] [ 5.5699898e-10 8.889323e-11 3.0671057e-10 ] [ 4.886271e-10 2.8814257e-10 1.9387804e-10 ] [ 2.6589192e-10 1.7874331e-10 1.5885596e-10 ] [ 3.2809093e-10 3.453364e-11 3.4606186e-10 ] [ 3.0806748e-10 4.2902678e-10 5.5744462e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.35e-05 7.73e-05 6.6e-06 ] [ 1.02e-05 -0.0002541 -0.0001322 ] [ 3.05e-05 -8.39e-05 -7.45e-05 ] [ -9.81e-05 -4.99e-05 3.88e-05 ] [ 7.66e-05 0.0001964 9.45e-05 ] [ 2.12e-05 8.23e-05 5e-06 ] [ -9.38e-05 3.19e-05 6.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.571644991899998e-14 1.238482538082e-13 1.05743657844e-14 ] [ 1.63422016668e-14 -4.071130826993999e-13 -2.118077510148e-13 ] [ 4.886638733699999e-14 -1.344226195926e-13 -1.19362159233e-13 ] [ -1.571735277954e-13 -7.994861403659999e-14 6.21644533992e-14 ] [ 1.227267301644e-13 3.146674909175999e-13 1.51405691913e-13 ] [ 3.39661446408e-14 1.318591369782e-13 8.010883169999999e-15 ] [ -1.502841682692e-13 5.11094346246e-14 9.901451598119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.025699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727817711531716e-18 } }