{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1935051 -14.4198344 4.5376946 ] [ -10.3175296 14.4723059 -2.471515 ] [ 0.8062753 -0.5460502 0.2094088 ] [ -0.3310849 0.7970712 -0.5858632 ] [ 9.7233666 -0.9523979 -0.4633848 ] [ -1.0745325 0.6489055 -1.2263405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.912205983779833e-09 -2.31031217418294e-08 7.270188260347976e-09 ] [ -1.653050484572337e-08 2.318719035308034e-08 -3.95980358358051e-09 ] [ 1.29179544623134e-09 -8.748688714310268e-10 3.355098863139792e-10 ] [ -5.304564906502265e-10 1.277048852274341e-09 -9.386563297604687e-10 ] [ 1.557855077033603e-08 -1.525909661650668e-09 -7.424242991107632e-10 ] [ -1.721590863973605e-09 1.039661229774087e-09 -1.964814094427877e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.857455 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.899773733970647e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6469361 0.7117052 0.4646636 ] [ 0.0138052 3.0048745 0.8066507 ] [ 0.4583408 2.7814723 3.1276841 ] [ 1.0914747 0.4882977 2.7856945 ] [ 2.3000826 2.4498803 0.3153546 ] [ 2.74461 2.2264873 2.6363908 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.469361e-11 7.117052e-11 4.646636e-11 ] [ 1.38052e-12 3.0048745e-10 8.066507000000001e-11 ] [ 4.583408e-11 2.7814723e-10 3.1276841e-10 ] [ 1.0914747e-10 4.882977e-11 2.7856945e-10 ] [ 2.3000826e-10 2.4498803e-10 3.153546e-11 ] [ 2.74461e-10 2.2264873e-10 2.6363908e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 -4.3e-06 -2e-07 ] [ -1.48e-05 1.97e-05 -1.87e-05 ] [ -2.72e-05 -6.8e-06 5.3e-06 ] [ -5.7e-06 -9.2e-06 3.62e-05 ] [ 6.1e-06 2.02e-05 -1.79e-05 ] [ 3.65e-05 -1.96e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.1711008334e-15 -6.8893595262e-15 -3.204353268e-16 ] [ -2.37122141832e-14 3.15628796898e-14 -2.99607030558e-14 ] [ -4.35792044448e-14 -1.08948011112e-14 8.4915361602e-15 ] [ -9.1324068138e-15 -1.47400250328e-14 5.799879415079998e-14 ] [ 9.773277467399999e-15 3.236396800679999e-14 -2.86789617486e-14 ] [ 5.847944714099999e-14 -3.140266202639999e-14 -7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014505636701e-18 } }