{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7028266 -11.8614826 -4.3985398 ] [ -1.0405792 -16.0434337 23.0303115 ] [ -10.7892289 22.6667703 -21.6394218 ] [ 3.2394706 0.4870627 -0.4102332 ] [ 5.0767137 -1.6771953 0.7641156 ] [ 0.0110187 -0.4161907 0.2902345 ] [ 4.2054316 6.8444693 2.3635332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.126052346996353e-09 -1.9004190109746e-08 -7.047237633218308e-09 ] [ -1.667191666330768e-09 -2.570441439149485e-08 3.689862665504137e-08 ] [ -1.72862503000397e-08 3.63161694437038e-08 -3.467017569558985e-08 ] [ 5.190204059088948e-09 7.803604708037242e-10 -6.572660421159706e-10 ] [ 8.133792000635065e-09 -2.687163098175642e-09 1.224248149908565e-09 ] [ 1.765390353160896e-11 -6.668110093343865e-10 4.650069304495776e-10 ] [ 6.737844189893538e-09 1.096604869424334e-08 3.786797635524611e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.062057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252989896575699e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5149048 1.4794616 1.9196183 ] [ 2.4457022 2.0085706 4.4930426 ] [ 2.2215869 4.0413429 2.8082398 ] [ 4.6967747 2.901786 2.0274944 ] [ 4.7689959 3.0309669 4.5740976 ] [ 5.1194211 5.372899 1.5481362 ] [ 4.1203704 5.387995 3.8745271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5149048e-10 1.4794616e-10 1.9196183e-10 ] [ 2.4457022e-10 2.0085706e-10 4.4930426e-10 ] [ 2.2215869e-10 4.0413429e-10 2.8082398e-10 ] [ 4.6967747e-10 2.901786e-10 2.0274944e-10 ] [ 4.7689959e-10 3.0309669e-10 4.5740976e-10 ] [ 5.119421100000001e-10 5.372899000000001e-10 1.5481362e-10 ] [ 4.1203704e-10 5.387995e-10 3.8745271e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 1.15e-05 5e-07 ] [ 7.3e-06 1.33e-05 -2.03e-05 ] [ 1.5e-06 -1.22e-05 -4.6e-06 ] [ -7.2e-06 3.37e-05 2.93e-05 ] [ 4.1e-06 -2.2e-06 9.2e-06 ] [ -1.74e-05 -1.87e-05 -5.2e-06 ] [ 1.16e-05 -2.54e-05 -8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 1.84250311392e-14 8.010883104e-16 ] [ 1.169588933184e-14 2.130894905664e-14 -3.252418540224e-14 ] [ 2.4032649312e-15 -1.954655477376e-14 -7.370012455680001e-15 ] [ -1.153567166976e-14 5.399335212096e-14 4.694377498944e-14 ] [ 6.568924145279999e-15 -3.52478856576e-15 1.474002491136e-14 ] [ -2.787787320192e-14 -2.996070280896e-14 -8.33131842816e-15 ] [ 1.858524880128e-14 -4.069528616832e-14 -1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.473993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.760948278142286e-18 } }