{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8104221 -15.1263731 -7.0268081 ] [ 0.1625348 0.1278024 -0.1532222 ] [ -7.0696667 0.0813884 -6.0106868 ] [ -5.8164831 -2.5112384 14.1897218 ] [ -0.9692741 18.4489472 -1.2824317 ] [ 3.9004067 3.7814748 -5.7097477 ] [ 11.6029046 -4.8020012 5.9931747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.900615962399639e-09 -2.423512133831802e-08 -1.125818765666807e-08 ] [ 2.604094566264038e-10 2.047620173621299e-10 -2.454890266275418e-10 ] [ -1.132685470358829e-08 1.303985916843187e-10 -9.630181865911165e-09 ] [ -9.319033238098309e-09 -4.023447453735198e-09 2.273444052361609e-08 ] [ -1.552948302166961e-09 2.955847188221362e-08 -2.0546820875128e-09 ] [ 6.249140426351679e-09 6.058590516704356e-09 -9.148024275606573e-09 ] [ 1.858990248349278e-08 -7.693654055693546e-09 9.602124388710054e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.5987189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.217448976961109e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5141909 0.6307764 2.4149155 ] [ 3.0331594 2.4453227 0.6165472 ] [ 0.9855193 2.7045504 2.209041 ] [ 2.9105891 2.8279297 5.3807738 ] [ 2.2441215 4.2340962 3.5583408 ] [ 4.264523 3.5275181 2.3741323 ] [ 4.2168498 1.5579395 3.8240031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5141909e-10 6.307764e-11 2.4149155e-10 ] [ 3.033159400000001e-10 2.4453227e-10 6.165472e-11 ] [ 9.855193e-11 2.7045504e-10 2.209041e-10 ] [ 2.9105891e-10 2.8279297e-10 5.3807738e-10 ] [ 2.2441215e-10 4.2340962e-10 3.5583408e-10 ] [ 4.264523e-10 3.5275181e-10 2.3741323e-10 ] [ 4.2168498e-10 1.5579395e-10 3.8240031e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.1e-06 1.39e-05 -6.4e-06 ] [ -1.35e-05 3.2e-06 9.2e-06 ] [ 6.6e-06 -1.67e-05 -7e-07 ] [ -2.48e-05 9.2e-06 -5.4e-06 ] [ 3.59e-05 -1.77e-05 1.78e-05 ] [ -1.9e-06 -3.16e-05 4e-06 ] [ -1.14e-05 3.97e-05 -1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.457980724928e-14 2.227025502912e-14 -1.025393037312e-14 ] [ -2.16293843808e-14 5.126965186560001e-15 1.474002491136e-14 ] [ 1.057436569728e-14 -2.675634956736e-14 -1.12152363456e-15 ] [ -3.973398019584e-14 1.474002491136e-14 -8.65175375232e-15 ] [ 5.751814068672e-14 -2.835852618816e-14 2.851874385024e-14 ] [ -3.04413557952e-15 -5.062878121728e-14 6.4087064832e-15 ] [ -1.826481347712e-14 6.360641184576e-14 -2.948004982272e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }