{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2043644 0.1512691 -0.7486853 ] [ -0.3706195 -2.3491224 -1.1473259 ] [ -4.8029927 1.5339238 2.0754389 ] [ -9.6673178 4.2979276 -2.3246769 ] [ 3.7796761 -3.9257791 3.9995973 ] [ 4.4327043 -7.8327769 -10.3419022 ] [ 6.424185 8.1245578 8.4875541 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.274278665014296e-10 2.423598174662094e-10 -1.19952609387928e-09 ] [ -5.937979030047628e-10 -3.763709019686002e-09 -1.83821874856302e-09 ] [ -7.69524267721257e-09 2.457616870696489e-09 3.325219710874662e-09 ] [ -1.548875069261228e-08 6.886039175343698e-09 -3.724543010779554e-09 ] [ 6.055708731508247e-09 -6.289791544265549e-09 6.408061339469487e-09 ] [ 7.101975254891326e-09 -1.254949212851495e-08 -1.656955405595319e-08 ] [ 1.029267909949329e-08 1.301697666874244e-08 1.35985608588309e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.693368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.873484098236331e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0569379 3.0388878 1.2082501 ] [ 1.5346177 1.2989074 2.8209331 ] [ 0.9727591 3.067876 4.5045005 ] [ 1.5075448 4.7687004 2.8545604 ] [ 3.452809 2.3975518 4.1716017 ] [ 4.3938719 3.1147997 1.8670951 ] [ 3.8320476 4.8837898 3.5506524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0569379e-10 3.0388878e-10 1.2082501e-10 ] [ 1.5346177e-10 1.2989074e-10 2.8209331e-10 ] [ 9.727591e-11 3.067876e-10 4.5045005e-10 ] [ 1.5075448e-10 4.7687004e-10 2.8545604e-10 ] [ 3.452809e-10 2.3975518e-10 4.1716017e-10 ] [ 4.3938719e-10 3.1147997e-10 1.8670951e-10 ] [ 3.8320476e-10 4.8837898e-10 3.5506524e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 -6.7e-06 8.5e-06 ] [ -1.31e-05 -1.18e-05 1e-06 ] [ 1.82e-05 8.2e-06 -5e-07 ] [ -4e-06 9.6e-06 -3.1e-06 ] [ -5.5e-06 -8.5e-06 -9.5e-06 ] [ 5.5e-06 6.9e-06 -1.6e-06 ] [ -1.09e-05 2.2e-06 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.57013310132e-14 -1.07345834478e-14 1.3618501389e-14 ] [ -2.09885139054e-14 -1.89056842812e-14 1.602176634e-15 ] [ 2.915961473879999e-14 1.31378483988e-14 -8.010883169999999e-16 ] [ -6.408706535999999e-15 1.53808956864e-14 -4.9667475654e-15 ] [ -8.811971486999999e-15 -1.3618501389e-14 -1.5220678023e-14 ] [ 8.811971486999999e-15 1.10550187746e-14 -2.5634826144e-15 ] [ -1.74637253106e-14 3.5247885948e-15 8.4915361602e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586672135423e-18 } }