{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5586116 -0.2754391 -0.0529314 ] [ 0.8441606 -4.9202546 -0.2533713 ] [ -10.7195271 4.0629087 1.8917959 ] [ 23.7289744 -41.5372394 -18.7892969 ] [ -1.0715187 -8.315957 20.4336344 ] [ -8.6140713 49.7363792 4.5046254 ] [ -4.7266296 1.2496021 -7.734456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.949944456276813e-10 -4.413020864741933e-10 -8.480545158621314e-11 ] [ 1.3524943775205e-09 -7.883116888503655e-09 -4.059455732417031e-10 ] [ -1.717457570565202e-08 6.509497331584922e-09 3.030991162305295e-09 ] [ 3.80180080192417e-08 -6.654999385925261e-08 -3.010377221444992e-08 ] [ -1.716762209890009e-09 -1.33236318849781e-08 3.273829131365463e-08 ] [ -1.380126364676426e-08 7.968646395748341e-08 7.217205501341849e-09 ] [ -7.572895440301256e-09 2.002083269922583e-09 -1.239196457780629e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8013568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.090444992279102e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7900529 1.9844577 1.3512324 ] [ 3.4380867 0.5727439 2.527018 ] [ 1.8048911 3.4691306 3.3227683 ] [ 5.319976 2.211094 2.0823615 ] [ 3.8612055 2.3454033 4.2882871 ] [ 4.0550565 4.454366 2.6986802 ] [ 3.6883612 3.2957115 0.4746123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7900529e-10 1.9844577e-10 1.3512324e-10 ] [ 3.4380867e-10 5.727439e-11 2.527018e-10 ] [ 1.8048911e-10 3.4691306e-10 3.3227683e-10 ] [ 5.319976e-10 2.211094e-10 2.0823615e-10 ] [ 3.8612055e-10 2.3454033e-10 4.2882871e-10 ] [ 4.0550565e-10 4.454366000000001e-10 2.6986802e-10 ] [ 3.6883612e-10 3.2957115e-10 4.746123e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-05 -7.6e-06 -2.26e-05 ] [ -8.3e-06 8.7e-06 -7e-07 ] [ -6.7e-06 -1.18e-05 -9.7e-06 ] [ 1.98e-05 6.1e-06 2.1e-05 ] [ 3.04e-05 1.07e-05 8.4e-06 ] [ 1.24e-05 -8.1e-06 9.5e-06 ] [ -3.6e-06 2e-06 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.04957713152e-14 -1.217654231808e-14 -3.620919163008e-14 ] [ -1.329806595264e-14 1.393893660096e-14 -1.12152363456e-15 ] [ -1.073458335936e-14 -1.890568412544e-14 -1.554111322176e-14 ] [ 3.172309709184e-14 9.77327738688e-15 3.36457090368e-14 ] [ 4.870616927232e-14 1.714328984256e-14 1.345828361472e-14 ] [ 1.986699009792e-14 -1.297763062848e-14 1.52206778976e-14 ] [ -5.76783583488e-15 3.2043532416e-15 -9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }