{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5235026 -2.4226684 -2.0117471 ] [ -1.9999625 0.7339692 9.2748271 ] [ -7.0803776 4.8162517 -3.2881694 ] [ 1.9562821 -10.3282396 -4.098966 ] [ 2.8279031 -1.0248865 -5.3125518 ] [ -1.7612328 6.414184 2.8708899 ] [ 9.5808903 1.8113895 2.5657173 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.645273535558248e-09 -3.881542702410166e-09 -3.223174197137261e-09 ] [ -3.204293186376225e-09 1.175948302315673e-09 1.485991126400998e-08 ] [ -1.1344015550617e-08 7.716485937202776e-09 -5.268228181313799e-09 ] [ 3.134309470132451e-09 -1.654766415747351e-08 -6.567267548760444e-09 ] [ 4.530800270036165e-09 -1.642049202802041e-09 -8.51164636087464e-09 ] [ -2.821806039194395e-09 1.027665573097665e-08 4.599672716566596e-09 ] [ 1.535027857157725e-08 2.902165931972942e-09 4.110732307509569e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.679163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.832514186727734e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.819792 2.3852638 1.618327 ] [ 2.5928469 2.9853189 4.8873282 ] [ 1.0658668 3.8742437 3.2372252 ] [ 3.4015843 1.3880766 3.150726 ] [ 4.0294581 3.3660983 1.6238416 ] [ 3.220719 4.9633386 3.3604439 ] [ 4.8705647 3.2140661 3.9465252 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.819792e-10 2.3852638e-10 1.618327e-10 ] [ 2.5928469e-10 2.9853189e-10 4.8873282e-10 ] [ 1.0658668e-10 3.8742437e-10 3.2372252e-10 ] [ 3.4015843e-10 1.3880766e-10 3.150726e-10 ] [ 4.0294581e-10 3.3660983e-10 1.6238416e-10 ] [ 3.220719e-10 4.9633386e-10 3.3604439e-10 ] [ 4.870564700000001e-10 3.2140661e-10 3.9465252e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.87e-05 -1.1e-06 1.7e-06 ] [ -5.6e-06 -1.8e-06 -3e-07 ] [ 9.3e-06 -6.7e-06 -1.31e-05 ] [ -3e-06 1.44e-05 -5e-06 ] [ -4.2e-06 -3.6e-06 1.9e-06 ] [ -7.2e-06 -1e-07 1.7e-06 ] [ 2.94e-05 -1.1e-06 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.99607030558e-14 -1.7623942974e-15 2.7237002778e-15 ] [ -8.972189150399999e-15 -2.8839179412e-15 -4.806529901999999e-16 ] [ 1.49002426962e-14 -1.07345834478e-14 -2.09885139054e-14 ] [ -4.806529901999999e-15 2.30713435296e-14 -8.010883169999999e-15 ] [ -6.729141862799999e-15 -5.767835882399999e-15 3.0441356046e-15 ] [ -1.15356717648e-14 -1.602176634e-16 2.7237002778e-15 ] [ 4.710399303959999e-14 -1.7623942974e-15 2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210092579071e-18 } }