{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.1446022 6.2938836 -22.4365118 ] [ -7.0227748 -11.0565566 33.0264924 ] [ 12.3515057 -15.4743011 -16.2012993 ] [ -9.5549647 31.5220926 -19.0156557 ] [ 29.370836 -11.2851185 24.6269744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.028609378415625e-08 1.008391315795654e-08 -3.594725465826332e-08 ] [ -1.12517255977034e-08 -1.771455649107194e-08 5.291427399030889e-08 ] [ 1.978929366421794e-08 -2.479256344563972e-08 -2.59573429650434e-08 ] [ -1.530874105490929e-08 5.050395980241269e-08 -3.046643899172226e-08 ] [ 4.705726677255099e-08 -1.808075302365756e-08 3.945676262472011e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.647297 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.308061653611398e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.159952 0.9966138 0.8387547 ] [ 0.395806 0.4318703 3.2189837 ] [ 1.9594218 -0.2767521 0.4143664 ] [ 1.4642007 2.8583688 1.2738362 ] [ 2.7062337 1.0123835 2.4327105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59952e-11 9.966138e-11 8.387547e-11 ] [ 3.95806e-11 4.318703e-11 3.2189837e-10 ] [ 1.9594218e-10 -2.767521e-11 4.143664000000001e-11 ] [ 1.4642007e-10 2.8583688e-10 1.2738362e-10 ] [ 2.7062337e-10 1.0123835e-10 2.432710500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 -1.5e-06 -8e-06 ] [ -2.4e-06 5.8e-06 8.1e-06 ] [ 3e-06 -5.9e-06 -5.2e-06 ] [ -4.6e-06 5.2e-06 5.8e-06 ] [ 6.2e-06 -3.5e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.52478856576e-15 -2.4032649312e-15 -1.28174129664e-14 ] [ -3.84522388992e-15 9.292624400640001e-15 1.297763062848e-14 ] [ 4.8065298624e-15 -9.45284206272e-15 -8.33131842816e-15 ] [ -7.370012455680001e-15 8.33131842816e-15 9.292624400640001e-15 ] [ 9.93349504896e-15 -5.6076181728e-15 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }