{ "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" [ [ 1.84187 2.347102 1.383115 ] [ 2.042679 1.03426 3.627522 ] [ 0.9834518 3.478775 3.226301 ] [ 4.103178 1.51668 2.106844 ] [ 3.482715 3.397853 2.716774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84187e-10 2.347102e-10 1.383115e-10 ] [ 2.042679e-10 1.03426e-10 3.627522e-10 ] [ 9.834518e-11 3.478775e-10 3.226301e-10 ] [ 4.103178e-10 1.51668e-10 2.106844e-10 ] [ 3.482715e-10 3.397853e-10 2.716774e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.671331 -7.4711802 -18.4030912 ] [ 0.1461072 -1.7890378 1.262702 ] [ -6.3671232 7.0984544 11.7147439 ] [ 26.664754 -69.6376892 -19.7350699 ] [ -15.772407 71.7994529 25.1607152 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.484297316218285e-09 -1.197015024622387e-08 -2.948500247109021e-08 ] [ 2.340895399705498e-10 -2.866354536887466e-09 2.023071623437402e-09 ] [ -1.020125593279328e-08 1.137297768349489e-08 1.876908879523941e-08 ] [ 4.272164545818328e-08 -1.115718775627767e-07 -3.161906760363379e-08 ] [ -2.527018174914226e-08 1.150354048226108e-07 4.031190965604719e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.4217247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.880030696353894e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8256948 2.2627658 1.1355773 ] [ 1.7888119 0.8193551 3.4696013 ] [ 1.2105554 3.3685384 3.5709897 ] [ 4.1035603 1.3874163 2.391529 ] [ 3.5252713 3.9365944 2.4928587 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8256948e-10 2.2627658e-10 1.1355773e-10 ] [ 1.7888119e-10 8.193551000000001e-11 3.4696013e-10 ] [ 1.2105554e-10 3.3685384e-10 3.570989700000001e-10 ] [ 4.1035603e-10 1.3874163e-10 2.391529e-10 ] [ 3.5252713e-10 3.936594400000001e-10 2.4928587e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.16e-05 7.3e-06 -1.76e-05 ] [ 8e-06 3.95e-05 -1.34e-05 ] [ -5.8e-05 -3.5e-06 3.84e-05 ] [ 5.05e-05 -1.99e-05 8.9e-06 ] [ 2.11e-05 -2.35e-05 -1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.460701500928e-14 1.169588933184e-14 -2.819830852608e-14 ] [ 1.28174129664e-14 6.32859765216e-14 -2.146916671872e-14 ] [ -9.29262440064e-14 -5.6076181728e-15 6.152358223872e-14 ] [ 8.090991935040001e-14 -3.188331475392e-14 1.425937192512e-14 ] [ 3.380592669888e-14 -3.76511505888e-14 -2.595526125696e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.806069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.692629083935164e-18 } }