{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0417064 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.83562 0.2935814 -0.9707504 ] [ -3.4544437 -0.1788472 -0.6721967 ] [ -0.1710224 -0.5522503 0.7760133 ] [ 2.8801965 2.1721948 -1.2412198 ] [ -1.0903504 -1.7346787 2.1081536 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.940987448672896e-09 4.703692553817331e-10 -1.555313595512248e-09 ] [ -5.53462893400985e-09 -2.865448025355418e-10 -1.076977837318911e-09 ] [ -2.740080909131059e-10 -8.848025194897861e-10 1.243310366689857e-09 ] [ 4.614583495609987e-09 3.480239724383332e-09 -1.988653344834052e-09 ] [ -1.746933919359928e-09 -2.779261657739737e-09 3.377634410975355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.631618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.023808304247645e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2047027 1.4136278 2.2173798 ] [ 0.5556286 2.60502 0.2097128 ] [ 1.9282344 0.6345763 0.6683059 ] [ 2.8254215 2.905798 0.7849446 ] [ 2.4744965 1.7143782 2.7926006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.047027e-11 1.4136278e-10 2.2173798e-10 ] [ 5.556286e-11 2.60502e-10 2.097128e-11 ] [ 1.9282344e-10 6.345763e-11 6.683059000000001e-11 ] [ 2.8254215e-10 2.905798e-10 7.849446000000001e-11 ] [ 2.4744965e-10 1.7143782e-10 2.7926006e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 -1.11e-05 -6.4e-06 ] [ 6.1e-06 1.18e-05 -3.7e-06 ] [ -1.31e-05 -1.3e-05 4.7e-06 ] [ -5.1e-06 5.6e-06 -1.2e-06 ] [ 5.7e-06 6.6e-06 6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 -1.778416049088e-14 -1.025393037312e-14 ] [ 9.77327738688e-15 1.890568412544e-14 -5.928053496960001e-15 ] [ -2.098851373248e-14 -2.08282960704e-14 7.53023011776e-15 ] [ -8.17110076608e-15 8.972189076479999e-15 -1.92261194496e-15 ] [ 9.13240673856e-15 1.057436569728e-14 1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }