{ "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" [ [ 0.0585008 -0.2562812 0.6641236 ] [ 0.4637628 -2.5745732 -0.7427994 ] [ -8.6013412 1.3104009 1.3730467 ] [ 8.3722935 -12.2799716 -6.0159745 ] [ 0.6352707 -4.0212034 9.0131738 ] [ 1.4609697 17.5888299 1.673246 ] [ -2.3894564 0.2327986 -5.9648161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.372861405809665e-11 -4.10607746990569e-10 1.064043305241531e-09 ] [ 7.430299157567463e-10 -4.124920989578242e-09 -1.190095832624268e-09 ] [ -1.378086777816382e-08 2.099493685855279e-09 2.199863322006591e-09 ] [ 1.341389290817581e-08 -1.967468340160797e-08 -9.63865369522897e-09 ] [ 1.017815863419251e-09 -6.442678074961471e-09 1.44406963415671e-08 ] [ 2.34073149703719e-09 2.8180412053008e-08 2.680835622047117e-09 ] [ -3.828331180500933e-09 3.729844742749709e-10 -9.556688902791436e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.887248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.705635393525156e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3595151 1.5621549 0.8550688 ] [ 2.9360383 0.6675585 3.1436126 ] [ 2.0967961 3.1594436 2.9373769 ] [ 4.7482394 2.078527 1.8468964 ] [ 4.1848616 2.4697707 4.39364 ] [ 4.3801515 4.4781936 2.8776613 ] [ 3.2520281 3.9172586 0.6907039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3595151e-10 1.5621549e-10 8.550688e-11 ] [ 2.9360383e-10 6.675585e-11 3.1436126e-10 ] [ 2.0967961e-10 3.1594436e-10 2.9373769e-10 ] [ 4.7482394e-10 2.078527e-10 1.8468964e-10 ] [ 4.1848616e-10 2.4697707e-10 4.393640000000001e-10 ] [ 4.380151500000001e-10 4.4781936e-10 2.8776613e-10 ] [ 3.2520281e-10 3.9172586e-10 6.907039e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.9e-06 1.2e-06 9.2e-06 ] [ 7e-07 -6.4e-06 -2e-05 ] [ 5.6e-06 2e-05 -9.2e-06 ] [ -1.6e-06 -9.7e-06 1e-06 ] [ 3.9e-06 -6.3e-06 1.53e-05 ] [ -4e-07 1.5e-05 2.2e-06 ] [ -1.5e-05 -1.38e-05 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.105501868352e-14 1.92261194496e-15 1.474002491136e-14 ] [ 1.12152363456e-15 -1.025393037312e-14 -3.2043532416e-14 ] [ 8.972189076479999e-15 3.2043532416e-14 -1.474002491136e-14 ] [ -2.56348259328e-15 -1.554111322176e-14 1.6021766208e-15 ] [ 6.24848882112e-15 -1.009371271104e-14 2.451330229824e-14 ] [ -6.408706483200001e-16 2.4032649312e-14 3.52478856576e-15 ] [ -2.4032649312e-14 -2.211003736704e-14 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }