{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2011731 -0.804842 -0.8353725 ] [ 1.370437 -1.4743886 -1.3543472 ] [ -5.6817016 2.1515242 2.351332 ] [ 7.8920719 -17.4991622 -7.9139685 ] [ -0.0968374 -4.2183427 10.3194217 ] [ -1.5867925 22.4369992 1.7725464 ] [ -2.0983506 -0.591788 -4.339612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.223148375538605e-10 -1.289499035837914e-09 -1.338414289159248e-09 ] [ 2.195682121679289e-09 -2.362230944894043e-09 -2.169903420285942e-09 ] [ -9.103089469881954e-09 3.447121772325423e-09 3.767249158138906e-09 ] [ 1.264449308785264e-08 -2.803674856042709e-08 -1.267957530844765e-08 ] [ -1.551506182990579e-10 -6.758530052462348e-09 1.653353618791619e-08 ] [ -2.542321845560784e-09 3.59480355591483e-08 2.839932401363205e-09 ] [ -3.361928273561653e-09 -9.481488980699905e-10 -6.952824889743129e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1660619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.468565008098563e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9805303 1.4181196 0.1772541 ] [ 2.7007969 0.8481257 2.3817977 ] [ 2.3204921 3.056698 3.4578278 ] [ 4.896587 2.0132586 2.3465545 ] [ 4.5582184 2.9449947 4.718722 ] [ 4.4019099 4.6340784 2.770367 ] [ 3.0990954 3.4176318 0.8924368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9805303e-10 1.4181196e-10 1.772541e-11 ] [ 2.7007969e-10 8.481257e-11 2.3817977e-10 ] [ 2.3204921e-10 3.056698e-10 3.4578278e-10 ] [ 4.896587e-10 2.0132586e-10 2.3465545e-10 ] [ 4.558218400000001e-10 2.9449947e-10 4.718722e-10 ] [ 4.4019099e-10 4.6340784e-10 2.770367e-10 ] [ 3.0990954e-10 3.4176318e-10 8.924368000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.06e-05 9.2e-06 3.9e-06 ] [ -1.7e-05 0.0001141 -3.71e-05 ] [ 3.99e-05 -5.7e-06 -3.47e-05 ] [ -1.4e-05 -6.33e-05 1.73e-05 ] [ 1.59e-05 4.8e-06 -3.39e-05 ] [ -2.81e-05 3.2e-06 -8.9e-06 ] [ -7.74e-05 -6.22e-05 9.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2913543563648e-13 1.474002491136e-14 6.24848882112e-15 ] [ -2.72370025536e-14 1.8280835243328e-13 -5.944075263168e-14 ] [ 6.392684716992e-14 -9.13240673856e-15 -5.559552874176001e-14 ] [ -2.24304726912e-14 -1.0141778009664e-13 2.771765553984e-14 ] [ 2.547460827072e-14 7.69044777984e-15 -5.431378744512e-14 ] [ -4.502116304448e-14 5.126965186560001e-15 -1.425937192512e-14 ] [ -1.2400847044992e-13 -9.965538581376e-14 1.4964329638272e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.728527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.680205485982156e-18 } }