{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4522201 -1.6688112 0.9814851 ] [ -3.3541495 0.5115944 -6.3534211 ] [ -1.6347196 -1.6380187 2.1753957 ] [ 4.3387399 1.4637885 0.3789179 ] [ 0.3748189 0.4412362 -2.5247916 ] [ -0.9581739 -1.5540258 1.9837964 ] [ 5.6857042 2.4442367 3.3586176 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.133243013645142e-09 -2.673730311197501e-09 1.572512493839153e-09 ] [ -5.373939955842783e-09 8.196645937652494e-10 -1.017930283238258e-08 ] [ -2.619109546261826e-09 -2.624395287195055e-09 3.485368160244073e-09 ] [ 6.951427688783496e-09 2.345247731817909e-09 6.070934055843484e-10 ] [ 6.005260835615826e-10 7.069383297149507e-10 -4.045162107239474e-09 ] [ -1.535163833888653e-09 -2.489823825393157e-09 3.178392238693317e-09 ] [ 9.109502417075662e-09 3.916098928705267e-09 5.381098641261158e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.849534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.461987264258855e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2831297 1.7823563 2.9714345 ] [ 1.813141 4.0475208 2.4873901 ] [ 1.5776108 3.2634031 4.6814938 ] [ 4.6174426 1.7670872 2.7187604 ] [ 3.7286739 2.3382448 4.7989901 ] [ 4.0569253 3.8832294 1.9797808 ] [ 3.4588495 4.5893445 4.1320005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2831297e-10 1.7823563e-10 2.9714345e-10 ] [ 1.813141e-10 4.0475208e-10 2.4873901e-10 ] [ 1.5776108e-10 3.2634031e-10 4.6814938e-10 ] [ 4.617442600000001e-10 1.7670872e-10 2.7187604e-10 ] [ 3.7286739e-10 2.3382448e-10 4.7989901e-10 ] [ 4.0569253e-10 3.8832294e-10 1.9797808e-10 ] [ 3.4588495e-10 4.5893445e-10 4.1320005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.38e-05 -5.17e-05 -1e-06 ] [ -1.65e-05 -1.24e-05 -4.7e-06 ] [ 6.9e-06 4.5e-06 -1.75e-05 ] [ -6e-07 -1.11e-05 1.46e-05 ] [ 8.6e-06 1e-05 1e-07 ] [ 6.5e-06 6.35e-05 2.63e-05 ] [ 3.89e-05 -2.8e-06 -1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.01753365692e-14 -8.28325319778e-14 -1.602176634e-15 ] [ -2.6435914461e-14 -1.98669902616e-14 -7.530230179799999e-15 ] [ 1.10550187746e-14 7.209794853e-15 -2.8038091095e-14 ] [ -9.613059803999998e-16 -1.77841606374e-14 2.33917788564e-14 ] [ 1.37787190524e-14 1.602176634e-14 1.602176634e-16 ] [ 1.0414148121e-14 1.01738216259e-13 4.21372454742e-14 ] [ 6.232467106259999e-14 -4.486094575199999e-15 -2.851874408519999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639091936438e-18 } }