{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.9330028 -5.6208265 -8.0082301 ] [ -11.0590899 1.0214773 16.6190447 ] [ -14.1750733 -60.9801658 -87.9862724 ] [ 43.7393632 46.9137043 57.8965399 ] [ 12.3015581 -7.1170906 27.3874596 ] [ 3.1262447 25.7829013 -5.9085418 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.436666375970093e-08 -9.005556807873091e-09 -1.283059904020685e-08 ] [ -1.771861528510541e-08 1.636587048737908e-09 2.662664487837015e-08 ] [ -2.271097103938631e-08 -9.770099597726773e-08 -1.409695485906203e-07 ] [ 7.007818512771987e-08 7.516404022458443e-08 9.276048265299437e-08 ] [ 1.970926878723287e-08 -1.140283616743544e-08 4.387954747422452e-08 ] [ 5.00879616923991e-09 4.130876167925393e-08 -9.466527534979549e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 37.129932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.948870898229378e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0585794 -0.4936721 1.0388158 ] [ 0.3914449 -0.0553444 3.1911055 ] [ 1.6848428 0.1996844 -0.1886777 ] [ 3.2125543 1.0661064 1.2050278 ] [ 2.4141673 0.9064282 3.2940701 ] [ 3.5493941 3.2235351 0.6967135 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.85794e-12 -4.936721e-11 1.0388158e-10 ] [ 3.914449e-11 -5.53444e-12 3.1911055e-10 ] [ 1.6848428e-10 1.996844e-11 -1.886777e-11 ] [ 3.2125543e-10 1.0661064e-10 1.2050278e-10 ] [ 2.4141673e-10 9.064282000000001e-11 3.2940701e-10 ] [ 3.5493941e-10 3.2235351e-10 6.967135000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-05 2.1e-05 -1.04e-05 ] [ 3.07e-05 -4.93e-05 3.1e-05 ] [ -5.1e-06 -1.13e-05 -5e-07 ] [ 1.4e-05 7.24e-05 2.24e-05 ] [ -4.13e-05 1.62e-05 -3.57e-05 ] [ 2.27e-05 -4.9e-05 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-14 3.36457090368e-14 -1.666263685632e-14 ] [ 4.918682225856e-14 -7.898730740544e-14 4.96674752448e-14 ] [ -8.17110076608e-15 -1.810459581504e-14 -8.010883104e-16 ] [ 2.24304726912e-14 1.1599758734592e-13 3.588875630592e-14 ] [ -6.616989443904001e-14 2.595526125696e-14 -5.719770536256001e-14 ] [ 3.636940929216e-14 -7.85066544192e-14 -1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.285701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.647950967073918e-18 } }