{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4333523 -0.1651144 0.4196715 ] [ -1.4882519 -1.6978271 1.6986557 ] [ 7.2896955 -16.3554747 14.3137719 ] [ -1.6726014 16.4781784 -14.3522855 ] [ 1.3045101 1.7402378 -2.0798137 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.705190099350157e-09 -2.645424336169296e-10 6.723878712557309e-10 ] [ -2.384442419686104e-09 -2.720218908191981e-09 2.721546471750914e-09 ] [ 1.167937979907495e-08 -2.620435940231816e-08 2.293319088258578e-08 ] [ -2.679802881075687e-09 2.640095240336351e-08 -2.299489647259701e-08 ] [ 2.090055601037003e-09 2.788168340763565e-09 -3.332228913213085e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1291614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.142217581509473e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3862372 0.6681138 2.551766 ] [ 0.34978 2.3970331 0.8977817 ] [ 2.5445171 -0.3103967 2.6028495 ] [ 2.421503 2.0352199 2.2049279 ] [ 2.4844353 2.5386504 -0.122732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.862372e-11 6.681138e-11 2.551766e-10 ] [ 3.4978e-11 2.3970331e-10 8.977817e-11 ] [ 2.544517100000001e-10 -3.103967000000001e-11 2.6028495e-10 ] [ 2.421503e-10 2.0352199e-10 2.2049279e-10 ] [ 2.4844353e-10 2.5386504e-10 -1.22732e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.69e-05 9.1e-06 -1.03e-05 ] [ 1.01e-05 -1.48e-05 1.02e-05 ] [ -2.08e-05 -3.2e-06 1.23e-05 ] [ -1e-05 -2.2e-06 -2.52e-05 ] [ -6.1e-06 1.11e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.309855145459999e-14 1.45798073694e-14 -1.65024193302e-14 ] [ 1.61819840034e-14 -2.37122141832e-14 1.63422016668e-14 ] [ -3.332527398719999e-14 -5.1269652288e-15 1.97067725982e-14 ] [ -1.602176634e-14 -3.5247885948e-15 -4.037485117679999e-14 ] [ -9.773277467399999e-15 1.77841606374e-14 2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.06157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252911889135538e-18 } }